SCHEMBL4833488

SCHEMBL4833488

COc1ccc(N2C(c3ccc(F)c(NS(C)(=O)=O)c3)=Nc3occc3C2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ PTGS2 P35354 3/20 0.35
▸ ACLY P53396 2/20 0.35
▸ PIK3CD O00329 3/20 0.33
▸ MTOR P42345 3/20 0.33
▸ PIK3R1 P27986 2/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ FPR1 P21462 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGS1 P23219 1/20 0.31

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
SCHEMBL4833845 0.85 KDM1A (0.40) KDM1AMAOAACLYMTOR
SCHEMBL4829255 0.85 KDM1A (0.38) KDM1AMAOAACLYPIK3CDMTOR
SCHEMBL4833391 0.85 PTGS2 (0.43) PTGS2TP53NPY5RKDM4EMEN1
SCHEMBL4833056 0.85 PTGS2 (0.43) PTGS2TP53NPY5RKDM4EMEN1
SCHEMBL4825867 0.85 KDM1A (0.41) KDM1AMAOAACLYPIK3CDMTOR
SCHEMBL4826492 0.84 KDR (0.42) KDM1APTGS2TP53KDM4EMEN1
SCHEMBL4825739 0.81 LHCGR (0.37) KDM4EALDH1A1
SCHEMBL4833648 0.81 CA1 (0.34) PTGS2ALDH1A1PTGS1
SCHEMBL4831438 0.80 PTGS2 (0.43) PTGS2ALDH1A1PTGS1
SCHEMBL4826431 0.80 PTGS2 (0.43) PTGS2ALDH1A1PTGS1

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 2677/4885PTGS2 110/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDM1A 523/4885MAOA 3188/4885PTGS2 205/4885

“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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