SCHEMBL962390

SCHEMBL962390

O=C(O)c1ccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3c(F)cccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.54
P2RY14 Q15391 2/20 0.52
CPT1A P50416 1/20 0.48
CPT1B Q92523 1/20 0.48
ADORA2A P29274 1/20 0.45
MMP13 P45452 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
PTGDR Q13258 1/20 0.43

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
SCHEMBL961299 0.90 P2RY14 (0.48) PTGER4P2RY14CPT1ACPT1BADORA2A
SCHEMBL957619 0.83 CPT1A (0.68) PTGER4P2RY14CPT1ACPT1BADORA2A
SCHEMBL957803 0.83 CPT1A (0.58) PTGER4P2RY14CPT1ACPT1BADORA2A
SCHEMBL964026 0.83 KDM4E (0.48) PTGER4ADORA2AADORA3
SCHEMBL960320 0.82 CPT1A (0.69) PTGER4CPT1ACPT1B
SCHEMBL959354 0.77 CPT1A (0.60) PTGER4P2RY14CPT1ACPT1BADORA2A
SCHEMBL3782851 0.75 KDM4E (0.46) PTGER4
SCHEMBL963276 0.74 CPT1A (0.58) PTGER4P2RY14CPT1ACPT1BADORA2A
SCHEMBL959913 0.74 CPT1A (0.49) PTGER4P2RY14CPT1ACPT1BADORA2A
SCHEMBL959029 0.73 CPT1A (0.55) PTGER4P2RY14CPT1ACPT1BADORA2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 US claimed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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 (2 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 PTGER4 1048/4885P2RY14 1643/4885CPT1A 1/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 PTGER4 1048/4885P2RY14 1643/4885CPT1A 1/4885

“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.