SCHEMBL4089911

SCHEMBL4089911

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
THRA P10827 1/20 0.44
MAPT P10636 1/20 0.43
VNN1 O95497 1/20 0.42
MMP2 P08253 2/20 0.41
ESR1 P03372 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
FLT3 P36888 1/20 0.41
MMP3 P08254 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
LSS P48449 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4094642 0.86 CHRNA7 (0.49) ALDH1A1KDM4EMAPTVNN1HSD17B14
SCHEMBL3956887 0.82 KDM4E (0.48) ALDH1A1KDM4EMAPTVNN1HSD17B14
SCHEMBL3945625 0.81 PSMB1 (0.52) KDM4EESR1FLT3HRH3
SCHEMBL3954103 0.78 CHEK2 (0.43) VNN1
SCHEMBL5804959 0.78 PKM (0.45) ALDH1A1KDM4EMAPTVNN1ESR1
SCHEMBL4079787 0.77 HSD17B14 (0.55) ALDH1A1MAPTVNN1HSD17B14MEN1
SCHEMBL3950626 0.76 HSD17B14 (0.51) VNN1ESR1HSD17B14MEN1KMT2A
SCHEMBL8134642 0.73 KDM4E (0.69) ALDH1A1KDM4ETHRAESR1BCHE
SCHEMBL4087894 0.71 HRH3 (0.59) ALDH1A1KDM4EMAPTMMP2ESR1
SCHEMBL8134959 0.71 ALDH1A1 (0.62) ALDH1A1KDM4ETHRAMAPTBCHE

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 ALDH1A1 3165/4885KDM4E 3468/4885THRA 2484/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ALDH1A1 3055/4885KDM4E 3359/4885THRA 2421/4885

“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.