SCHEMBL15439620

SCHEMBL15439620

CC(C)c1nc2c(c(C(C)C)n1)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
PTK2B Q14289 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ACHE P22303 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
BPTF Q12830 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 5/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL15440139 0.96 HTT (0.41) GAAPTK2BSMN1; SMN2NPSR1KMT2A
SCHEMBL16775700 0.80 KDM4E (0.50) GAASMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL19523169 0.80 GAA (0.39) GAAPTK2BSMN1; SMN2NPSR1KMT2A
SCHEMBL24872227 0.79 GAA (0.45) GAAPTK2BSMN1; SMN2NPSR1KMT2A
SCHEMBL21983630 0.76 KDM4E (0.55) SMN1; SMN2NPSR1KMT2AMEN1ACHE
SCHEMBL801820 0.76 NPSR1 (0.39) GAANPSR1KMT2AMEN1ACHE
SCHEMBL12510401 0.76 HTR2C (0.49) GAANPSR1KMT2AMEN1ACHE
SCHEMBL20609522 0.74 NPSR1 (0.41) GAANPSR1KMT2AMEN1ACHE
SCHEMBL17297725 0.74 HTR2C (0.44) HTR2AHTR2CHTR2B
SCHEMBL15439432 0.74 HTR2A (0.33) HTR2AHTR2CHTR2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 US disclosed
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-07-03 US disclosed
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9475824-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2016-10-25 US disclosed
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2015-12-03 US disclosed
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2015-08-27 US disclosed
US-9062026-B2 Fused pyrimidines and substituted quinazolines as inhibitors of p97 CLEAVE BIOSCIENCES, INC. (US) 2015-06-23 US disclosed
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 CLEAVE BIOSCIENCES, INC. (US) 2014-01-23 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 (6 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-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 GAA 384/4885PTK2B 3444/4885SMN1; SMN2 2126/4885
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 PSMG3, PSMD1, PSMD3 GAA 177/4885PTK2B 3258/4885SMN1; SMN2 1813/4885
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 GAA 94/4885PTK2B 3791/4885SMN1; SMN2 335/4885
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF USP1, UHRF1, UBQLN1 GAA 1202/4885PTK2B 4531/4885SMN1; SMN2 2429/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 GAA 384/4885PTK2B 3444/4885SMN1; SMN2 2126/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 GAA 384/4885PTK2B 3444/4885SMN1; SMN2 2126/4885

“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.