SCHEMBL4826492

SCHEMBL4826492

COc1ccc(N2C(c3cccc(NS(C)(=O)=O)c3)=Nc3occc3C2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ USP2 O75604 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ FYN P06241 3/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL4833391 0.89 PTGS2 (0.43) MEN1KMT2ATP53ALDH1A1MAPK1
SCHEMBL4833056 0.89 PTGS2 (0.43) MEN1KMT2ATP53ALDH1A1MAPK1
SCHEMBL4829323 0.86 KDM1A (0.42) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL4833776 0.85 FYN (0.46) MEN1KMT2AUSP2FYNALDH1A1
SCHEMBL4835205 0.85 ACSS2 (0.43) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4833489 0.84 RAB9A (0.40) KMT2ACLK4KDM1AALDH1A1PTGS2
SCHEMBL4836662 0.84 CA1 (0.41) KDRGLAALDH1A1PTGS2KDM4E
SCHEMBL4833488 0.84 KDM1A (0.40) MEN1KMT2AKDM1ATP53ALDH1A1
SCHEMBL4833783 0.83 PTGS2 (0.37) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL4825912 0.83 KMT2A (0.38) MEN1KMT2ACYP3A4TP53ALDH1A1

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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