SCHEMBL1964558

SCHEMBL1964558

CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 1.00
ABL1 P00519 9/20 1.00
PIK3CD O00329 4/20 1.00
PRKDC P78527 4/20 1.00
PIK3CA P42336 3/20 1.00
PIK3CB P42338 3/20 1.00
PIK3CG P48736 3/20 1.00
EGFR P00533 2/20 0.72
KDR P35968 2/20 0.72
MTOR P42345 2/20 0.72
HCK P08631 1/20 0.72
EPHB4 P54760 1/20 0.72
KDM4E B2RXH2 1/20 0.67
PLK4 O00444 1/20 0.67
RIPK2 O43353 1/20 0.67
ROCK2 O75116 1/20 0.67
PRKD3 O94806 1/20 0.67
MAP4K4 O95819 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29390060 1.00 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL29390926 1.00 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL17637855 0.89 SRC (0.80) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL14617291 0.87 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL14617304 0.86 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL14617301 0.86 SRC (0.89) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL14617294 0.85 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL3610160 0.85 SRC (0.95) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL409031 0.84 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL13845116 0.84 SRC (0.72) SRCABL1PIK3CDPRKDCPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US claimed
EP-2528919-B1 COMPOSITIONS AND METHODS FOR TREATING TOXOPLASMOSIS. CRYPTOSPORIDIOSIS AND OTHER APICOMPLEXAN PROTOZOAN RELATED DISEASES UNIV WASHINGTON (US) 2016-11-02 EP claimed
US-12023385-B2 Tunable endogenous protein degradation with heterobifunctional compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
US-20230014124-A1 HETEROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-01-19 US disclosed
US-11311609-B2 Regulating chimeric antigen receptors DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-26 US disclosed
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-15 US disclosed
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-15 US disclosed
US-11185592-B2 Spirocyclic degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
US-20210106688-A1 SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2021-04-15 US disclosed
US-10905768-B1 Heterocyclic degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2021-02-02 US disclosed
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2020-07-16 US disclosed
US-20090253717-A1 Inhibitors of p97 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-08 US disclosed
US-20090253717-A1 Inhibitors of p97 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-08 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 SRC 132/4885ABL1 1181/4885PIK3CD 167/4885
US-20230014124-A1 HETEROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION CRBN, MDM2, STUB1 SRC 766/4885ABL1 1463/4885PIK3CD 2674/4885
US-11185592-B2 Spirocyclic degronimers for target protein degradation STUB1, UBE3C, UBE3A SRC 1396/4885ABL1 3456/4885PIK3CD 3419/4885
US-20210106688-A1 SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION STUB1, UBE3C, UBE3A SRC 1396/4885ABL1 3456/4885PIK3CD 3419/4885
US-12023385-B2 Tunable endogenous protein degradation with heterobifunctional compounds DBN1, MYCBP, PSMG3 SRC 3905/4885ABL1 2538/4885PIK3CD 4733/4885
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 SRC 132/4885ABL1 1181/4885PIK3CD 167/4885
US-10905768-B1 Heterocyclic degronimers for target protein degradation CRBN, MDM2, STUB1 SRC 766/4885ABL1 1463/4885PIK3CD 2674/4885
US-20090253717-A1 Inhibitors of p97 TMEM97, CDC37, HSP90B1 SRC 1172/4885ABL1 50/4885PIK3CD 3053/4885
US-11311609-B2 Regulating chimeric antigen receptors NFATC1, TNFRSF9, IL2RA SRC 303/4885ABL1 2453/4885PIK3CD 2659/4885
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B SRC 3920/4885ABL1 2533/4885PIK3CD 3413/4885
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC SRC 1/4885ABL1 18/4885PIK3CD 514/4885
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 SRC 132/4885ABL1 1181/4885PIK3CD 167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.