SCHEMBL14008951

SCHEMBL14008951

Cc1cc(Cn2ccnc2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ F2 P00734 2/20 0.41
▸ F10 P00742 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ TBXAS1 P24557 6/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ PGGT1B P53609 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ WDR5 P61964 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ GPR174 Q9BXC1 1/20 0.36

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
SCHEMBL14008962 0.88 BLM (0.46) NPC1POLBF2F10ABL1
SCHEMBL14009351 0.87 RAB9A (0.42) NPC1POLBS1PR1RAB9ARXFP1
SCHEMBL14009066 0.86 RAB9A (0.41) NPC1POLBS1PR1RAB9ARXFP1
SCHEMBL14009089 0.85 S1PR1 (0.42) NPC1POLBF10S1PR1RAB9A
SCHEMBL14009047 0.85 CCR5 (0.44) F2F10ABL1BCRS1PR1
SCHEMBL14008953 0.84 PDE7A (0.46) NPC1ABL1BCRS1PR1RAB9A
SCHEMBL14009068 0.83 RAB9A (0.44) NPC1POLBS1PR1RAB9ARXFP1
SCHEMBL14009309 0.82 RAB9A (0.43) NPC1POLBS1PR1RAB9ARXFP1
SCHEMBL14009259 0.80 NPC1 (0.55) NPC1POLBF2F10TBXAS1
SCHEMBL14009015 0.80 MAPT (0.46) NPC1F10S1PR1RAB9ARXFP1

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 NPC1 4547/4885POLB 1045/4885F2 2738/4885

“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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