SCHEMBL4093716

SCHEMBL4093716

CC(C)(C)Cc1n[nH]c(-c2ccc3[nH]nc(-c4ccc5cc(F)ccc5c4)c3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.38
CSNK1D P48730 2/20 0.38
MAP2K4 P45985 4/20 0.38
MAPK1 P28482 2/20 0.38
MAPKAPK2 P49137 2/20 0.38
MAPKAPK3 Q16644 2/20 0.38
MAPK6 Q16659 2/20 0.38
ITK Q08881 1/20 0.37
WNT1 P04628 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
TRPA1 O75762 1/20 0.35
HTR2A P28223 1/20 0.34
PDPK1 O15530 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL4176018 0.83 MAP2K4 (0.47) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL13812060 0.80 CSNK1D (0.57) NTRK1CSNK1DMAP2K4MAPK1MAPKAPK2
SCHEMBL4084821 0.80 CSNK1D (0.57) CSNK1DWNT1CLK2CLK3DYRK1A
SCHEMBL4079772 0.78 ACHE (0.40) CSNK1DWNT1CLK2DYRK1A
SCHEMBL4084727 0.77 TTK (0.39) CSNK1DMAPK1MAPKAPK2WNT1CLK2
SCHEMBL4256190 0.77 TTK (0.37) CSNK1DWNT1CLK2DYRK1A
SCHEMBL4089583 0.76 CLK2 (0.43) CSNK1DCLK2CLK3DYRK1A
SCHEMBL8259329 0.76 CSNK1D (0.46) NTRK1CSNK1DMAP2K4MAPK1MAPKAPK2
SCHEMBL5378286 0.76 CSNK1D (0.47) NTRK1CSNK1DMAP2K4MAPK1MAPKAPK2
SCHEMBL4307237 0.75 CLK2 (0.42) CSNK1DWNT1CLK2CLK3DYRK1A

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 3 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
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 NTRK1 981/4885CSNK1D 702/4885MAP2K4 358/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 NTRK1 1052/4885CSNK1D 687/4885MAP2K4 357/4885

“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.