SCHEMBL4833860

SCHEMBL4833860

NC1=c2ccoc2=NCN1c1ccc(NC(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.44
▸ DDX3X O00571 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MTOR P42345 1/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ KDR P35968 5/20 0.43
▸ KIT P10721 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FLT3 P36888 5/20 0.41
▸ LCK P06239 4/20 0.41
▸ LYN P07948 4/20 0.41
▸ BLK P51451 4/20 0.41
▸ RPS6KA3 P51812 3/20 0.41
▸ STK3 Q13188 3/20 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
SCHEMBL4833677 0.88 MEN1 (0.47) RAB9AKMT2ANPC1MEN1CDK8
SCHEMBL4833470 0.87 KMT2A (0.50) RAB9AKMT2AMEN1CDK8KDR
SCHEMBL4832987 0.87 NPC1 (0.47) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4834435 0.86 TRPV1 (0.43) RAB9AKMT2ANPC1MEN1CDK8
SCHEMBL4831180 0.85 CNR1 (0.39) RAB9ADDX3XKMT2ANPC1MEN1
SCHEMBL4834145 0.85 ALDH1A1 (0.51) RAB9AKMT2ANPC1MEN1KDR
SCHEMBL4833622 0.85 RAB9A (0.47) RAB9AKMT2ANPC1MEN1KDR
SCHEMBL4828972 0.85 TP53 (0.51) RAB9AKMT2ANPC1MEN1CDK8
SCHEMBL4833333 0.85 RAB9A (0.49) RAB9AKMT2ANPC1MEN1KDR
SCHEMBL4836200 0.85 CA12 (0.48) RAB9AKMT2ANPC1MEN1CDK8

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 RAB9A 3248/4885DDX3X 2363/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR RAB9A 4166/4885DDX3X 1896/4885KMT2A 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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