SCHEMBL4832987

SCHEMBL4832987

CC(=O)c1cccc(NC(=O)Nc2ccc(N3CN=c4occc4=C3N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ HTT P42858 6/20 0.46
▸ TP53 P04637 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ NOX1 Q9Y5S8 1/20 0.46
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4833333 0.92 RAB9A (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4833860 0.87 RAB9A (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4833677 0.87 MEN1 (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4833622 0.87 RAB9A (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4828972 0.87 TP53 (0.51) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4831180 0.85 CNR1 (0.39) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL4834145 0.85 ALDH1A1 (0.51) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4833470 0.85 KMT2A (0.50) RAB9AKMT2AMEN1ALDH1A1HTT
SCHEMBL4836200 0.84 CA12 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4828787 0.83 CNR1 (0.51) KMT2AMEN1MAPT

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 NPC1 4117/4885RAB9A 3248/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR NPC1 4782/4885RAB9A 4166/4885KMT2A 334/4885

“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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