SCHEMBL4825882

SCHEMBL4825882

NC1=c2ccoc2=NCN1c1cccc(NC(=O)Nc2ccc3c(c2)CCC3)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 18/20 0.48
▸ RAB9A P51151 18/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CASP3 P42574 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ POLB P06746 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL4833913 0.91 NPC1 (0.48) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL4831180 0.87 CNR1 (0.39) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4828787 0.85 CNR1 (0.51) MEN1KMT2AMAPT
SCHEMBL4835375 0.83 KDM4E (0.36) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4829189 0.82 EPHX2 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4834425 0.81 RAB9A (0.47) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4833860 0.80 RAB9A (0.44) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL4833677 0.80 MEN1 (0.47) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4832987 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4830976 0.79 EPHX1 (0.43) MAPTPKMHTTHSD17B10

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 3248/4885MEN1 303/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR NPC1 4782/4885RAB9A 4166/4885MEN1 1454/4885

“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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