SCHEMBL4828954

SCHEMBL4828954

NC1c2ccoc2N=CN1c1ccc(NC(=O)Cc2cccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 12/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA13 Q8N1Q1 1/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49
▸ HSD17B10 Q99714 3/20 0.47
▸ MEN1 O00255 8/20 0.47
▸ KMT2A Q03164 8/20 0.47
▸ BLM P54132 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KDM4E B2RXH2 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
SCHEMBL4829037 0.83 GAA (0.45) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4833602 0.79 PSEN1 (0.48) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL4831174 0.75 GAA (0.43) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4833638 0.74 MAPT (0.44) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4832995 0.73 NPC1 (0.46) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4833483 0.72 KMT2A (0.48) RAB9ASMN1; SMN2MAPTCA12CA1
SCHEMBL4836549 0.71 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTCA12
SCHEMBL4826568 0.71 RAB9A (0.50) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4830987 0.71 IDO1 (0.37) GAATHRB
SCHEMBL4831187 0.71 MAPT (0.40) POLBRAB9ANPC1SMN1; SMN2MAPT

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 POLB 928/4885RAB9A 3248/4885NPC1 4117/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR POLB 1327/4885RAB9A 4166/4885NPC1 4782/4885

“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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