SCHEMBL4826501

SCHEMBL4826501

COc1ccc(N2C(N)=c3ccoc3=NC2c2cccc(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ NR3C1 P04150 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CA4 P22748 1/20 0.33

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 0.89 ALDH1A1 (0.40) CA1CA2TP53ALDH1A1KMT2A
SCHEMBL4833403 0.89 ALDH1A1 (0.40) CA1CA2TP53ALDH1A1KMT2A
SCHEMBL4835178 0.86 ACSS2 (0.37) KDRTEKTP53ALDH1A1KMT2A
SCHEMBL4833764 0.86 ABCB1 (0.39) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL4833484 0.85 HSD11B1 (0.43) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL4829320 0.84 KDM1A (0.39) KDRTEKALDH1A1KMT2AKDM4E
SCHEMBL4836651 0.84 CA1 (0.40) CA1CA2CA12CA9ALDH1A1
SCHEMBL4833477 0.84 KDM1A (0.35) ALDH1A1KDM4EMAPTHPGDPTGS2
SCHEMBL4825906 0.84 ALDH1A1 (0.39) CA1CA2CA9ALDH1A1KMT2A
SCHEMBL4833775 0.84 PTGS2 (0.35) ALDH1A1KMT2AKDM4EPTGS2MEN1

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 KDR 2/4885TEK 3/4885HSP90AA1 2619/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDR 3/4885TEK 2/4885HSP90AA1 3603/4885

“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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