SCHEMBL14009089

SCHEMBL14009089

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.42
▸ RAB9A P51151 2/20 0.40
▸ GPR174 Q9BXC1 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ SELE P16581 1/20 0.36
▸ VCAM1 P19320 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
SCHEMBL14009351 0.90 RAB9A (0.42) S1PR1RAB9AGPR174RXFP1HSP90AA1
SCHEMBL14009066 0.88 RAB9A (0.41) S1PR1RAB9AGPR174RXFP1HSP90AA1
SCHEMBL14009029 0.87 BLM (0.46) S1PR1RAB9AGPR174RXFP1HSP90AA1
SCHEMBL14009086 0.86 S1PR1 (0.42) S1PR1RAB9ARXFP1HSP90AA1ATM
SCHEMBL14009068 0.86 RAB9A (0.44) S1PR1RAB9ARXFP1HSP90AA1ATM
SCHEMBL14009047 0.85 CCR5 (0.44) S1PR1F10ROCK2
SCHEMBL14008951 0.85 NPC1 (0.43) S1PR1RAB9AGPR174RXFP1F10
SCHEMBL14009034 0.85 S1PR1 (0.42) S1PR1RAB9ARXFP1HSP90AA1ATM
SCHEMBL14009309 0.84 RAB9A (0.43) S1PR1RAB9ARXFP1HSP90AA1ATM
SCHEMBL14008953 0.83 PDE7A (0.46) S1PR1RAB9ANPC1KMT2A

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 S1PR1 2163/4885RAB9A 3846/4885GPR174 2904/4885

“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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