SCHEMBL958978

SCHEMBL958978

N#Cc1ccc(Cn2nc(C(=O)O)c3cc(F)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
PTGER4 P35408 3/20 0.46
CPT1A P50416 3/20 0.45
CPT1B Q92523 3/20 0.45
KDM4C Q9H3R0 1/20 0.45
SLC2A1 P11166 5/20 0.43
SLC2A3 P11169 5/20 0.43
SLC2A4 P14672 5/20 0.43
P2RY14 Q15391 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCL2A1 Q16548 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL24273099 0.85 MCL1 (0.61) MCL1PTGER4CPT1ACPT1BKDM4C
SCHEMBL962070 0.85 ELANE (0.51) MCL1PTGER4SLC2A1SLC2A3SLC2A4
SCHEMBL3784936 0.80 CPT1A (0.68) MCL1PTGER4CPT1ACPT1BKDM4C
SCHEMBL12885227 0.79 CNR1 (0.54) PTGER4CPT1ACPT1BSLC2A1SLC2A3
SCHEMBL1218593 0.79 CNR1 (0.54) PTGER4CPT1ACPT1BSLC2A1SLC2A3
SCHEMBL12885237 0.78 CNR1 (0.44) PTGER4CPT1ACPT1BSLC2A1SLC2A3
SCHEMBL1218381 0.78 CNR1 (0.44) PTGER4CPT1ACPT1BSLC2A1SLC2A3
SCHEMBL1218252 0.77 SLC2A1 (0.41) PTGER4SLC2A1SLC2A3SLC2A4P2RY14
SCHEMBL1218213 0.76 PTGER4 (0.71) PTGER4CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL14584154 0.76 SLC22A12 (0.52) MCL1CYP3A4CYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MCL1 1482/4885PTGER4 1048/4885CPT1A 1/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 MCL1 1482/4885PTGER4 1048/4885CPT1A 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.