SCHEMBL4825863

SCHEMBL4825863

CS(=O)(=O)Nc1cc(C2N=c3occc3=C(N)N2c2ccc(-c3ccccn3)cc2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.40
▸ MAOA P21397 1/20 0.36
▸ ACLY P53396 2/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ BRAF P15056 3/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TNKS O95271 2/20 0.33
▸ GLO1 Q04760 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CD O00329 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
SCHEMBL4829247 0.85 KDM1A (0.36) KDM1AMAOAGHSRBRAFALOX5AP
SCHEMBL4833477 0.84 KDM1A (0.35) KDM1AMAOA
SCHEMBL4833856 0.83 KDM1A (0.38) KDM1AMAOAGHSR
SCHEMBL4833215 0.80 CA9 (0.35) CYP1A2MAPK1TNKS
SCHEMBL4825867 0.74 KDM1A (0.41) KDM1AMAOAACLYGHSRALOX5AP
SCHEMBL4833403 0.69 ALDH1A1 (0.40) MAPK1
SCHEMBL4833905 0.65 PTGS2 (0.33) MAOAMAPK1JAK2
SCHEMBL4831432 0.64 PTGS2 (0.45) —
SCHEMBL4837035 0.64 CA9 (0.47) —
SCHEMBL4836651 0.64 CA1 (0.40) —

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 2677/4885ACLY 3050/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDM1A 523/4885MAOA 3188/4885ACLY 2832/4885

“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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