SCHEMBL4833985

SCHEMBL4833985

COc1ccc(N2C(C(=O)Nc3cccnc3)=Nc3occc3C2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ BRAF P15056 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ NAMPT P43490 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MCL1 Q07820 1/20 0.41

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
SCHEMBL4831338 0.90 RAB9A (0.41) RAB9AKMT2AKDM4EPKMALDH1A1
SCHEMBL4836749 0.89 RAB9A (0.40) RAB9AKMT2APOLBKDM4EPKM
SCHEMBL4834062 0.86 SMN1; SMN2 (0.44) RAB9AKMT2APOLBKDM4ETDP1
SCHEMBL4828809 0.85 ALDH1A1 (0.51) RAB9AKMT2APOLBBRAFTDP1
SCHEMBL4833812 0.85 POLB (0.44) RAB9AKMT2APOLBTDP1PKM
SCHEMBL4825871 0.84 MAPT (0.41) RAB9AKMT2APOLBKDM4ETDP1
SCHEMBL4835125 0.83 MAPK14 (0.43) KMT2APOLBKDM4ETSHRALDH1A1
SCHEMBL4833576 0.83 RAB9A (0.40) RAB9AKMT2APKMALDH1A1HTT
SCHEMBL4825838 0.81 RAB9A (0.38) RAB9APOLBKDM4EHSD17B10ALDH1A1
SCHEMBL4826609 0.80 KMT2A (0.44) RAB9AKMT2APOLBKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US claimed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP claimed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO claimed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — 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 (2 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK RAB9A 3248/4885KMT2A 324/4885POLB 928/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR RAB9A 4166/4885KMT2A 334/4885POLB 1327/4885

“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.

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