SCHEMBL14009032

SCHEMBL14009032

Cc1cc(N2CCNCC2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.46
▸ PDE7A Q13946 1/20 0.46
▸ BRAF P15056 1/20 0.42
▸ HDAC3 O15379 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MT-CO2 P00403 1/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ F10 P00742 1/20 0.37

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
SCHEMBL14009026 0.90 RAB9A (0.46) PDE7ABRAFS1PR1RAB9ARXFP1
SCHEMBL14008947 0.89 PDE7A (0.46) PDE7ABRAFATMRAB9A
SCHEMBL14009068 0.85 RAB9A (0.44) S1PR1HSP90AA1ATMRAB9ARXFP1
SCHEMBL14009309 0.83 RAB9A (0.43) S1PR1HSP90AA1ATMRAB9ARXFP1
SCHEMBL14009038 0.82 S1PR1 (0.41) PDE7AS1PR1HSP90AA1ATMRAB9A
SCHEMBL14009351 0.81 RAB9A (0.42) S1PR1HSP90AA1ATMRAB9ARXFP1
SCHEMBL14009015 0.81 MAPT (0.46) S1PR1HSP90AA1ATMRAB9ARXFP1
SCHEMBL14009001 0.81 KDM4E (0.53) HDAC3HDAC2S1PR1HSP90AA1ATM
SCHEMBL14009066 0.80 RAB9A (0.41) S1PR1HSP90AA1ATMRAB9ARXFP1
SCHEMBL14009047 0.79 CCR5 (0.44) BRAFS1PR1KITFLT3F10

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 MAPKAPK2 132/4885PDE7A 571/4885BRAF 396/4885

“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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