SCHEMBL4089558

SCHEMBL4089558

COc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(CNC(C)(C)C)n5)cc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.46
GRK2 P25098 4/20 0.46
CSNK1D P48730 2/20 0.42
ADORA2A P29274 3/20 0.40
TTK P33981 3/20 0.40
ADORA1 P30542 2/20 0.40
ITK Q08881 6/20 0.40
LRRK2 Q5S007 1/20 0.40
SRC P12931 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
CCNB2 O95067 1/20 0.38
ABL1 P00519 1/20 0.38
CDK1 P06493 1/20 0.38
PDGFRB P09619 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL4083523 0.82 CSNK1D (0.44) ROCK2GRK2CSNK1DADORA2ATTK
SCHEMBL5372615 0.82 CSNK1D (0.54) ROCK2GRK2CSNK1DADORA2ATTK
SCHEMBL4084208 0.80 TTK (0.46) TTKITKLRRK2SRCNPC1
SCHEMBL5246773 0.79 CSNK1D (0.68) CSNK1DADORA2ATTKADORA1ITK
SCHEMBL4090371 0.78 CSNK1D (0.67) CSNK1DADORA2ATTKADORA1ITK
SCHEMBL4083423 0.78 CSNK1D (0.66) CSNK1DADORA2ATTKADORA1ITK
SCHEMBL4080023 0.78 CSNK1D (0.56) CSNK1DADORA2AADORA1LRRK2
SCHEMBL5383383 0.77 TTK (0.46) TTKITKLRRK2SRCNPC1
SCHEMBL4084738 0.77 CSNK1D (0.65) CSNK1DADORA2ATTKADORA1LRRK2
SCHEMBL4043167 0.77 CSNK1D (0.57) CSNK1DADORA2AADORA1LRRK2CHEK1

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 8 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
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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US 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 ROCK2 441/4885GRK2 396/4885CSNK1D 702/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ROCK2 447/4885GRK2 389/4885CSNK1D 687/4885

“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.