SCHEMBL14009172

SCHEMBL14009172

Cc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ GBA1 P04062 6/20 0.45
▸ POLB P06746 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GRM5 P41594 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ TSHR P16473 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
SCHEMBL14009148 0.87 POLB (0.41) RAB9ANPC1GBA1POLBTDP1
SCHEMBL14009163 0.83 ROCK1 (0.51) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL14009117 0.83 NPC1 (0.52) RAB9ANPC1TDP1MAPTTP53
SCHEMBL14009070 0.82 RAB9A (0.51) RAB9ANPC1MAPTKMT2AROCK1
SCHEMBL14609404 0.82 ROCK1 (0.45) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL14009349 0.81 ROCK1 (0.46) RAB9ANPC1POLBMAPTTP53
SCHEMBL14009001 0.81 KDM4E (0.53) RAB9ANPC1POLBMAPTMEN1
SCHEMBL14009145 0.80 NPC1 (0.55) RAB9ANPC1GBA1POLBMAPT
SCHEMBL14609432 0.80 ROCK1 (0.45) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL14009209 0.80 ESRRG (0.48) MAPTTP53SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
WO-2007022258-A1 NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 — — 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 (1 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-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 RAB9A 3846/4885NPC1 4547/4885GBA1 4591/4885

“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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