SCHEMBL993762

SCHEMBL993762

[NH]c1ccc2cn[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.59
METAP2 P50579 3/20 0.59
MAPT P10636 3/20 0.59
DYRK1A Q13627 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
FGFR1 P11362 6/20 0.53
FGFR2 P21802 2/20 0.52
FGFR3 P22607 1/20 0.52
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
HSP90AA1 P07900 1/20 0.50
IDO1 P14902 1/20 0.50
CDK2 P24941 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HIF1A Q16665 2/20 0.49

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
SCHEMBL907620 0.83 NOS1 (0.59) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL24046742 0.78 NOS1 (0.59) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL9529035 0.78 NOS1 (0.59) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL1141578 0.74 NOS1 (0.70) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL29468203 0.74 NOS1 (0.59) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL29364542 0.74 NOS1 (1.00) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL277779 0.74 NOS1 (0.59) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL177260 0.74 MAPT (1.00) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL5902 0.74 NOS1 (1.00) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL29741144 0.74 FGFR1 (0.72) NOS1METAP2MAPTDYRK1AKDM4E

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 45 patents — showing the first 20. 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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 EP claimed
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 EP claimed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO claimed
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 EP 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-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP disclosed
WO-2001078648-A2 6-METHYLNICOTINAMIDE DERIVATIVES AS ANTIVIRAL AGENTS DONG WHA PHARM. IND. CO., LTD. (KR) 2001-10-25 WO disclosed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 EP 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 NOS1 4336/4885METAP2 3244/4885MAPT 1332/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C NOS1 2382/4885METAP2 1714/4885MAPT 4144/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 NOS1 4336/4885METAP2 3244/4885MAPT 1332/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 NOS1 1431/4885METAP2 2108/4885MAPT 4235/4885

“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.