SCHEMBL4094642

SCHEMBL4094642

CCOc1ccc2cc(C(=O)c3cc(C#N)ccc3F)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.49
VNN1 O95497 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B14 Q9BPX1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
KAT6A Q92794 1/20 0.41
PLK1 P53350 1/20 0.41

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
SCHEMBL3956887 0.87 KDM4E (0.48) VNN1ALDH1A1KDM4EHSD17B14SMN1; SMN2
SCHEMBL4089911 0.86 ALDH1A1 (0.47) VNN1ALDH1A1KDM4EHSD17B14SMN1; SMN2
SCHEMBL5804959 0.82 PKM (0.45) VNN1ALDH1A1KDM4EHSD17B14SMN1; SMN2
SCHEMBL4079787 0.81 HSD17B14 (0.55) VNN1ALDH1A1HSD17B14SMN1; SMN2RAB9A
SCHEMBL3945625 0.81 PSMB1 (0.52) KDM4E
SCHEMBL3950626 0.80 HSD17B14 (0.51) VNN1HSD17B14SMN1; SMN2RAB9AGAA
SCHEMBL3954103 0.78 CHEK2 (0.43) VNN1
SCHEMBL11813952 0.76 KMT2A (0.57) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL7565814 0.76 SLC6A2 (0.56) ALDH1A1KDM4ERAB9AGAAMAPT
SCHEMBL4080048 0.74 VNN1 (0.51) VNN1ALDH1A1HSD17B14SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 CHRNA7 2741/4885VNN1 4443/4885ALDH1A1 3165/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CHRNA7 2995/4885VNN1 4492/4885ALDH1A1 3055/4885

“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.