SCHEMBL4836288

SCHEMBL4836288

NC1c2ccsc2N=CN1c1ccc(NC(=O)C2Cc3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ ANO1 Q5XXA6 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ KCNQ2 O43526 1/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ SLC9A3 P48764 1/20 0.31

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
SCHEMBL4833761 0.80 SCN3A (0.50) MEN1KMT2ARAB9ANPC1NAMPT
SCHEMBL4836283 0.72 ACKR3 (0.36) P2RX7MEN1KMT2ARAB9ANPC1
SCHEMBL14014153 0.68 NPC1 (0.54) P2RX7MEN1KMT2ARAB9ANPC1
SCHEMBL4829037 0.60 GAA (0.45) MEN1KMT2ARAB9ANPC1HSD17B10
SCHEMBL5131651 0.60 NPY2R (0.62) MEN1KMT2ARAB9ANPC1
SCHEMBL21016972 0.59 P2RX7 (0.52) P2RX7MEN1KMT2AACKR3F2
SCHEMBL3663960 0.58 ROCK1 (0.38) P2RX7MEN1KMT2ARAB9ANPC1
SCHEMBL3663961 0.58 ROCK1 (0.38) P2RX7ACKR3ROCK1NAMPT
SCHEMBL4766987 0.57 ACKR3 (0.45) MEN1KMT2ARAB9ANPC1ACKR3
SCHEMBL3649959 0.57 P2RX7 (0.45) P2RX7F2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP claimed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO 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 P2RX7 2180/4885MEN1 303/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR P2RX7 606/4885MEN1 1454/4885KMT2A 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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