SCHEMBL14008991

SCHEMBL14008991

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ ICAM1 P05362 1/20 0.40
▸ SELE P16581 1/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL14009015 0.88 MAPT (0.46) S1PR1ICAM1SELEVCAM1MAPT
SCHEMBL14008948 0.88 KCNA5 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19S1PR1
SCHEMBL14009017 0.86 MAPK14 (0.44) RAB9AKDM4EABL1NPC1
SCHEMBL14009351 0.84 RAB9A (0.42) S1PR1ICAM1SELEVCAM1MAPT
SCHEMBL14009068 0.84 RAB9A (0.44) S1PR1ICAM1SELEVCAM1RAB9A
SCHEMBL14009309 0.82 RAB9A (0.43) CYP1A2CYP2C9CYP2C19S1PR1ICAM1
SCHEMBL14009066 0.81 RAB9A (0.41) S1PR1ICAM1SELEVCAM1MAPT
SCHEMBL14009089 0.80 S1PR1 (0.42) S1PR1ICAM1SELEVCAM1RAB9A
SCHEMBL14009001 0.80 KDM4E (0.53) S1PR1MAPTRAB9ARXFP1LMNA
SCHEMBL14009086 0.79 S1PR1 (0.42) S1PR1ICAM1SELEVCAM1RAB9A

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 CYP1A2 2310/4885CYP2D6 3058/4885CYP2C9 3263/4885

“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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