SCHEMBL1820767

SCHEMBL1820767

[NH]c1ccc(CN2CCOCC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.50
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KCNJ1 P48048 1/20 0.46
CXCR4 P61073 1/20 0.46
NCF1 P14598 1/20 0.45
NPC1 O15118 2/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL2235176 0.85 HRH3 (0.46) HRH3
SCHEMBL17646031 0.82 HRH3 (0.53) HRH3SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL29725196 0.81 HRH3 (0.56) HRH3SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL115530 0.81 DRD2 (0.56) HRH3SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL392141 0.81 HRH3 (0.56) HRH3SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL23235216 0.81 HRH3 (0.56) HRH3SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL1820769 0.81 HRH3 (0.56) HRH3SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL1822660 0.81 HRH3 (0.56) HRH3SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL392531 0.81 HRH3 (0.61) HRH3SMN1; SMN2HIF1AEPAS1MEN1
SCHEMBL2233359 0.81 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTNPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP claimed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP claimed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US claimed
US-8026243-B2 [4,5′]Bipyrimidinyl-6,4′-diamine derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO claimed
EP-2044036-B1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM LLC (BM) 2011-05-04 EP claimed
US-20100234376-A1 [4,5']Bipyrimidinyl-6,4'-Diamine Deriviatives as Protein Kinase Inhibitors NOVARTIS AG 2010-09-16 US claimed
EP-2044036-A1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM, LLC (BM) 2009-04-08 EP claimed
WO-2008008747-A1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM LLC (BM) 2008-01-17 WO claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP disclosed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US disclosed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP disclosed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP disclosed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US disclosed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 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 (3 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 HRH3 4112/4885SMN1; SMN2 3500/4885HIF1A 3614/4885
US-20100234376-A1 [4,5']Bipyrimidinyl-6,4'-Diamine Deriviatives as Protein Kinase Inhibitors FGFR3, ERBB2, ERBB4 HRH3 3363/4885SMN1; SMN2 1670/4885HIF1A 1284/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 HRH3 4112/4885SMN1; SMN2 3500/4885HIF1A 3614/4885

“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.