SCHEMBL4828972

SCHEMBL4828972

COc1cccc(NC(=O)Nc2ccc(N3CN=c4occc4=C3N)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ MAPT P10636 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HTT P42858 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ KDR P35968 2/20 0.46
▸ KIT P10721 1/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ CASP3 P42574 1/20 0.45

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
SCHEMBL4827001 0.90 RAB9A (0.47) TP53TSHRNPC1RAB9AKMT2A
SCHEMBL4836200 0.90 CA12 (0.48) CDK8NPC1RAB9AKMT2ARAF1
SCHEMBL4833333 0.88 RAB9A (0.49) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL4836002 0.86 MAPT (0.51) TP53ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4828919 0.85 POLB (0.46) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL4833522 0.85 TEK (0.49) NPC1RAB9AKMT2ARAF1MAPT
SCHEMBL4833860 0.85 RAB9A (0.44) CDK8NPC1RAB9AKMT2AMAPT
SCHEMBL4833677 0.85 MEN1 (0.47) TP53TSHRALDH1A1CDK8NPC1
SCHEMBL4833622 0.85 RAB9A (0.47) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL4831462 0.84 CA12 (0.44) TP53ALDH1A1NPC1RAF1MAPT

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 TP53 54/4885TSHR 3073/4885ALDH1A1 906/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR TP53 144/4885TSHR 3243/4885ALDH1A1 1144/4885

“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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