SCHEMBL2263641

SCHEMBL2263641

NCc1ncc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
NCF1 P14598 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
PDPK1 O15530 1/20 0.38
UBE2T Q9NPD8 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37

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
SCHEMBL6665065 0.84 LOXL2 (0.41) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL28605200 0.80 HRH1 (0.42) KDM4EGPR3EGFRCYP1A2MAPT
SCHEMBL874900 0.79 KMT2A (0.44) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL6597830 0.79 SORD (0.47) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL290894 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL1514912 0.79 CYP1A2 (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL9971234 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL9934866 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL29756554 0.79 KMT2A (0.44) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL30838793 0.79 CYP1A2 (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891363-B1 Multi-target drug candidates for the treatment of triple-negative breast cancer King Faisal University (SA) 2024-02-06 US claimed
EP-3510404-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF Pharmakea, Inc. (US) 2019-07-17 EP claimed
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 US claimed
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
US-11970464-B1 Multi-target drug candidates for the treatment of triple-negative breast cancer King Faisal University (SA) 2024-04-30 US disclosed
US-11964947-B1 Multi-target drug candidates for the treatment of triple-negative breast cancer King Faisal University (SA) 2024-04-23 US disclosed
US-11891363-B1 Multi-target drug candidates for the treatment of triple-negative breast cancer King Faisal University (SA) 2024-02-06 US disclosed
EP-3510404-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF Pharmakea, Inc. (US) 2019-07-17 EP disclosed
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 US disclosed
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
CN-1701076-A Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH CORP (US) 2005-11-23 CN disclosed
CN-1701075-A Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH CORP (US) 2005-11-23 CN disclosed
CN-1681820-A Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH CORP (US) 2005-10-12 CN disclosed
CN-1681821-A Antidepressivt virkende cykloalkylaminderivater AV heterocykle-kondenserte benzodioksaner WYETH CORP (US) 2005-10-12 CN disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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 (5 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-11964947-B1 Multi-target drug candidates for the treatment of triple-negative breast cancer BRCA1, HSP90AB1, HSF1 KDM4E 2904/4885GPR3 3696/4885EGFR 488/4885
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 KDM4E 2943/4885GPR3 4428/4885EGFR 2327/4885
US-11970464-B1 Multi-target drug candidates for the treatment of triple-negative breast cancer BRCA1, HSP90AB1, HSF1 KDM4E 2904/4885GPR3 3696/4885EGFR 488/4885
US-11891363-B1 Multi-target drug candidates for the treatment of triple-negative breast cancer BRCA1, HSP90AB1, HSF1 KDM4E 2904/4885GPR3 3696/4885EGFR 488/4885
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 KDM4E 3469/4885GPR3 516/4885EGFR 1168/4885

“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.