SCHEMBL4833477

SCHEMBL4833477

COc1ccc(N2C(N)=c3ccoc3=NC2c2ccc(F)c(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PTGS2 P35354 5/20 0.32
▸ PTGS1 P23219 2/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ FPR1 P21462 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ NPY5R Q15761 1/20 0.30

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
SCHEMBL4833403 0.86 ALDH1A1 (0.40) ALDH1A1PTGS2PTGS1KDM4EMAPT
SCHEMBL4833050 0.86 ALDH1A1 (0.40) ALDH1A1PTGS2PTGS1KDM4EMAPT
SCHEMBL4829247 0.84 KDM1A (0.36) KDM1AMAOAFPR1FPR2
SCHEMBL4833856 0.84 KDM1A (0.38) KDM1AMAOA
SCHEMBL4826501 0.84 KDR (0.40) ALDH1A1PTGS2ROCK2HSD11B1CYP2C9
SCHEMBL4825748 0.81 ALDH1A1 (0.38) ALDH1A1HSD11B1KDM4ETDP1L3MBTL1
SCHEMBL4833641 0.81 ALDH1A1 (0.49) ALDH1A1PTGS2PTGS1HSD11B1KDM4E
SCHEMBL4831432 0.81 PTGS2 (0.45) ALDH1A1PTGS2PTGS1
SCHEMBL4826426 0.81 PTGS2 (0.45) ALDH1A1PTGS2PTGS1
SCHEMBL4833443 0.79 ALDH1A1 (0.39) ALDH1A1MAPTHPGD

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 KDM1A 674/4885MAOA 2677/4885ALDH1A1 906/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDM1A 523/4885MAOA 3188/4885ALDH1A1 1144/4885

“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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