SCHEMBL14009047

SCHEMBL14009047

Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.44
▸ F10 P00742 4/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ ABCB1 P08183 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ CDK2 P24941 4/20 0.41
▸ FLT3 P36888 4/20 0.41
▸ CCNA1 P78396 3/20 0.41
▸ KIT P10721 2/20 0.41
▸ F2 P00734 3/20 0.41
▸ ALK Q9UM73 2/20 0.41
▸ CDK6 Q00534 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ S1PR1 P21453 1/20 0.39

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
SCHEMBL14008953 0.91 PDE7A (0.46) ABCB1CYP3A4ABL1BCRS1PR1
SCHEMBL14009000 0.88 BLM (0.43) CCR5F10HPGDSKITALK
SCHEMBL14009026 0.87 RAB9A (0.46) F10ROCK2KITBRAFS1PR1
SCHEMBL14009351 0.86 RAB9A (0.42) ROCK2S1PR1
SCHEMBL14008948 0.85 KCNA5 (0.41) ABCB1CYP3A4ROCK2FLT3S1PR1
SCHEMBL14009089 0.85 S1PR1 (0.42) F10ROCK2S1PR1
SCHEMBL14008951 0.85 NPC1 (0.43) F10F2ABL1BCRS1PR1
SCHEMBL14009066 0.84 RAB9A (0.41) ROCK2S1PR1
SCHEMBL14609772 0.83 DDX3X (0.46) ROCK2FLT3S1PR1
SCHEMBL14009068 0.82 RAB9A (0.44) S1PR1

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 CCR5 2872/4885F10 3951/4885HPGDS 1337/4885

“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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