SCHEMBL4830984

SCHEMBL4830984

CCCCNC(=O)Nc1cccc(N2C=Nc3occc3C2N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 7/20 0.43
▸ PTPN7 P35236 1/20 0.43
▸ EPHX2 P34913 5/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 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
SCHEMBL4831187 0.85 MAPT (0.40) EPHX1PTPN7EPHX2HTTHSD17B10
SCHEMBL4833483 0.74 KMT2A (0.48) EPHX2ALDH1A1HTTCDK8MAPT
SCHEMBL4830976 0.70 EPHX1 (0.43) EPHX1PTPN7EPHX2ATMALDH1A1
SCHEMBL4826568 0.70 RAB9A (0.50) ATMMAPT
SCHEMBL27406518 0.68 EPHX1 (0.64) EPHX1EPHX2ALDH1A1HTTPKM
SCHEMBL10192072 0.66 MEN1 (0.69) EPHX1EPHX2ALDH1A1HTTPKM
SCHEMBL6064818 0.66 EPHX1 (0.66) EPHX1EPHX2ALDH1A1HTTCDK8
SCHEMBL6438910 0.66 EPHX1 (0.83) EPHX1EPHX2ALDH1A1HTTMAPT
SCHEMBL10243023 0.66 PTPN7 (0.64) EPHX1PTPN7EPHX2ATMALDH1A1
SCHEMBL6064770 0.64 CASR (0.64) EPHX1EPHX2ALDH1A1HTTPKM

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 7 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
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 EPHX1 1034/4885PTPN7 1525/4885EPHX2 1026/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR EPHX1 1290/4885PTPN7 1002/4885EPHX2 736/4885

“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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