SCHEMBL10851

SCHEMBL10851

[c]1ccnc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDK1 Q15118 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 4/20 0.32
LMNA P02545 3/20 0.32
HSP90AA1 P07900 3/20 0.32
CASP1 P29466 2/20 0.32
HSP90AB1 P08238 2/20 0.32
HIF1A Q16665 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL31311 0.84 MAPT (0.39) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL3943448 0.71
SCHEMBL8504459 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL30099834 0.71 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL8194 0.71 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL8727 0.70 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL198852 0.70 KDM4E (0.32) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL19695 0.70 TSHR (0.42) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL452278 0.70 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL286948 0.70 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ENPC1RAB9A

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

Appears in 2792 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists BREYE THERAPEUTICS APS (DK) 2024-02-01 US claimed
CN-117157291-A Heterocyclic derivatives as P2X7 receptor antagonists 布雷耶疗法有限公司 2023-12-01 CN claimed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US claimed
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP claimed
EP-4214214-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP claimed
CN-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 CN claimed
US-20230149409-A1 TREATMENT OF HUMAN PAPILLOMAVIRUS-ASSOCIATED CANCERS BY PD-L1 INHIBITORS INCYTE CORPORATION 2023-05-18 US claimed
CN-116134026-A Triazole derivatives and their use as tankyrase inhibitors 奥斯陆大学国家医院 2023-05-16 CN claimed
WO-2023049831-A1 TREATMENT OF HUMAN PAPILLOMAVIRUS-ASSOCIATED CANCERS BY PD-L1 INHIBITORS INCYTE CORPORATION (US) 2023-03-30 WO claimed
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP claimed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US claimed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US claimed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US claimed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO claimed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO claimed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO claimed
US-5622977-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-22 US claimed
US-5580888-A Styryl derivatives as anti-inflammatory agents CELLTECH THERAPEUTICS LIMITED (GB) 1996-12-03 US claimed
US-5280009-A Herbicide BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US claimed