SCHEMBL4830976

SCHEMBL4830976

CCCCNC(=O)Nc1cccc(N2CN=c3occc3=C2N)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 7/20 0.43
▸ PTPN7 P35236 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ EPHX2 P34913 5/20 0.42
▸ 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
▸ KDR P35968 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
SCHEMBL4831180 0.84 CNR1 (0.39) EPHX1PTPN7EPHX2HTTMAPT
SCHEMBL4829189 0.83 EPHX2 (0.38) EPHX2ALDH1A1HTTHSD17B10
SCHEMBL4835375 0.82 KDM4E (0.36) ALDH1A1HTTMAPTKDR
SCHEMBL4825882 0.79 NPC1 (0.48) HTTPKMHSD17B10MAPT
SCHEMBL4834425 0.79 RAB9A (0.47) EPHX1PTPN7EPHX2PKMKDR
SCHEMBL4833622 0.79 RAB9A (0.47) MAPTKDR
SCHEMBL4828818 0.78 MEN1 (0.52) KDR
SCHEMBL4832987 0.76 NPC1 (0.47) ALDH1A1HTTPKMHSD17B10MAPT
SCHEMBL4833677 0.75 MEN1 (0.47) ALDH1A1HTTCDK8MAPTKDR
SCHEMBL4833470 0.73 KMT2A (0.50) ALDH1A1HTTCDK8MAPTKDR

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 1525/4885ATM 1494/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR EPHX1 1290/4885PTPN7 1002/4885ATM 1421/4885

“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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