SCHEMBL519700

SCHEMBL519700

O=C1[N]CCNc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
BRD4 O60885 1/20 0.37
NISCH Q9Y2I1 4/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
TLK2 Q86UE8 1/20 0.36
PDPK1 O15530 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3962556 0.80 NOS2 (0.50) NOS2ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL700485 0.71 PARP10 (0.55) ALDH1A1KDM4EHSD17B10MEN1HPGD
SCHEMBL5568 0.71 NISCH (0.38) ALDH1A1NISCHMEN1KMT2ALMNA
SCHEMBL30124040 0.71 NOS2 (0.40) NOS2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL68581 0.69 MEN1 (0.61) NOS2ALDH1A1KDM4EHSD17B10BRD4
Hydrochloric Acid SCHEMBL30124058 0.69 PARP10 (0.53) ALDH1A1KDM4EHSD17B10MEN1HPGD
SCHEMBL2782043 0.69 NOS2 (0.39) NOS2ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL2995809 0.69 GABRA1 (0.56) ALDH1A1NPC1MAPTLMNAMAOA
SCHEMBL519701 0.69 PARP1 (0.48) NISCHPDPK1PARP1PARP10PARP11
Hydrochloric Acid SCHEMBL7142299 0.68 MEN1 (0.59) ALDH1A1KDM4EHSD17B10BRD4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-04-30 US disclosed
US-11969473-B2 Multifunctional conjugates E.P.O.S IASIS RESEARCH AND DEVELOPMENT LIMITED (CY) 2024-04-30 US disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2024-04-04 US disclosed
WO-2023233148-A1 CANCER THERAPY THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL, (GB) 2023-12-07 WO disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-26 US disclosed
EP-3596061-B1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER ARGONAUT THERAPEUTICS LTD (GB) 2023-09-06 EP disclosed
US-11724999-B2 Inhibitors of RAS-effector protein interactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-08-15 US disclosed
WO-2012125603-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-09-20 WO disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2011087822-A1 PROTEASOME INHIBITORS AND PROCESSES FOR THEIR PREPARATION, PURIFICATION AND USE CEPHALON, INC. (US) 2011-07-21 WO disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO 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 (10 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-11969473-B2 Multifunctional conjugates MKI67, ACP3, CD44 NOS2 2959/4885ALDH1A1 1638/4885KDM4E 2798/4885
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET NOS2 2603/4885ALDH1A1 77/4885KDM4E 729/4885
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS KRAS, NRAS, HRAS NOS2 4783/4885ALDH1A1 2940/4885KDM4E 4050/4885
US-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CDC7, CDK7, CDK17 NOS2 4193/4885ALDH1A1 2172/4885KDM4E 1538/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO NOS2 4505/4885ALDH1A1 3694/4885KDM4E 2942/4885
US-11724999-B2 Inhibitors of RAS-effector protein interactions KRAS, NRAS, HRAS NOS2 4613/4885ALDH1A1 3962/4885KDM4E 2955/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET NOS2 2603/4885ALDH1A1 77/4885KDM4E 729/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 NOS2 1769/4885ALDH1A1 1615/4885KDM4E 533/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 NOS2 3195/4885ALDH1A1 779/4885KDM4E 192/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS NOS2 4391/4885ALDH1A1 3190/4885KDM4E 3717/4885

“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.