SCHEMBL4833403

SCHEMBL4833403

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PTGS2 P35354 2/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ BCL2 P10415 1/20 0.36
▸ BECN1 Q14457 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CA4 P22748 3/20 0.34
▸ CA7 P43166 3/20 0.34
▸ PKM P14618 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
SCHEMBL4833050 1.00 ALDH1A1 (0.40) ALDH1A1GAALMNAMAPK1PTGS2
SCHEMBL4826501 0.89 KDR (0.40) ALDH1A1GAALMNAMAPK1PTGS2
SCHEMBL4833641 0.88 ALDH1A1 (0.49) ALDH1A1GAALMNAPTGS2KMT2A
SCHEMBL4831432 0.87 PTGS2 (0.45) ALDH1A1PTGS2CA1CA2CA4
SCHEMBL4826426 0.87 PTGS2 (0.45) ALDH1A1PTGS2CA1CA2CA4
SCHEMBL4833477 0.86 KDM1A (0.35) ALDH1A1PTGS2KDM4EMAPTTDP1
SCHEMBL4836450 0.85 ALDH1A1 (0.40) ALDH1A1GAALMNAKMT2AKDM4E
SCHEMBL4833908 0.85 ALDH1A1 (0.40) ALDH1A1GAALMNAKMT2AKDM4E
SCHEMBL4833680 0.85 ALDH1A1 (0.46) ALDH1A1GAALMNAMAPK1PTGS2
SCHEMBL4826579 0.84 PLAU (0.44) ALDH1A1LMNAKMT2AKDM4EMEN1

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 ALDH1A1 906/4885GAA 3329/4885LMNA 4230/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885GAA 4356/4885LMNA 4131/4885

“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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