SCHEMBL14009259

SCHEMBL14009259

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cn4ccnc4)cc3)s2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP19A1 P11511 3/20 0.52
▸ TNIK Q9UKE5 1/20 0.51
▸ WDR5 P61964 2/20 0.48
▸ F2 P00734 2/20 0.47
▸ F10 P00742 2/20 0.47
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ TBXAS1 P24557 5/20 0.44

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
SCHEMBL14009173 0.81 KLKB1 (0.57) NPC1F10MEN1KMT2A
SCHEMBL14008951 0.80 NPC1 (0.43) NPC1POLBWDR5F2F10
SCHEMBL14609402 0.78 CYP11B1 (0.43) POLBF10CYP11B1CYP11B2MEN1
SCHEMBL14009015 0.77 MAPT (0.46) NPC1F10MEN1KMT2A
SCHEMBL14009187 0.77 MEN1 (0.48) TNIKF10MEN1KMT2A
SCHEMBL14009158 0.77 NPC1 (0.54) NPC1F10MEN1KMT2A
SCHEMBL14009284 0.76 CA1 (0.50) NPC1F2F10MEN1KMT2A
SCHEMBL14009231 0.76 MAPT (0.52) NPC1F10MEN1KMT2AGAA
SCHEMBL14008962 0.75 BLM (0.46) NPC1POLBF2F10TBXAS1
SCHEMBL14009239 0.75 RAB9A (0.56) NPC1POLBMEN1KMT2AGAA

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 4 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

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 NPC1 4547/4885POLB 1045/4885CYP19A1 1610/4885

“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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