SCHEMBL276531

SCHEMBL276531

[O]c1cnnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.50
TGFBR1 P36897 1/20 0.40
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
LCK P06239 1/20 0.36
MAP2K3 P46734 1/20 0.36
MAP2K6 P52564 1/20 0.36
BTK Q06187 1/20 0.36
MAP3K19 Q56UN5 1/20 0.36
NEK10 Q6ZWH5 1/20 0.36
KDM4E B2RXH2 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAOA P21397 3/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
GOT1 P17174 2/20 0.34
NPC1 O15118 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
SCHEMBL9114839 0.74 GPR3 (0.46) GPR3TGFBR1LMNAHTTKDM4E
SCHEMBL1663961 0.73 GPR3 (0.50) GPR3TGFBR1LMNAHTTKDM4E
SCHEMBL276532 0.73 GPR3 (0.50) GPR3TGFBR1LMNAHTTLCK
SCHEMBL3952377 0.73 GPR3 (0.50) GPR3TGFBR1LMNAHTTKDM4E
SCHEMBL3883304 0.73 GPR3 (0.50) GPR3TGFBR1LMNAHTTLCK
SCHEMBL436407 0.73 GPR3 (0.50) GPR3TGFBR1KDM4ECYP1A2CYP2C19
SCHEMBL1960424 0.73 GPR3 (0.50) GPR3TGFBR1LMNAHTTLCK
SCHEMBL2013184 0.73 GPR3 (0.50) GPR3TGFBR1LMNAHTTLCK
SCHEMBL21532813 0.73 GPR3 (0.50) GPR3TGFBR1LMNAHTTLCK
SCHEMBL30701961 0.73 GPR3 (0.50) GPR3TGFBR1LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP claimed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
EP-2878594-B1 DIFLUOROMETHYLENE COMPOUND SATO PHARMA (JP) 2018-11-28 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 US disclosed
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 US disclosed
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 US disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP disclosed
US-5985867-A TREATING HIV INFECTION DUPONT PHARMACEUTICALS COMPANY (US) 1999-11-16 US disclosed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 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 (4 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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 GPR3 89/4885TGFBR1 417/4885LMNA 4738/4885
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 GPR3 1303/4885TGFBR1 3672/4885LMNA 2671/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 GPR3 29/4885TGFBR1 473/4885LMNA 4856/4885
US-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 GPR3 1814/4885TGFBR1 3218/4885LMNA 2526/4885

“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.