SCHEMBL4089440

SCHEMBL4089440

CCCCOc1ccc2cc(-c3n[nH]c4ccc(-c5nc[nH]n5)cc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.46
MAPK8 P45983 5/20 0.43
CYP19A1 P11511 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
SRC P12931 2/20 0.39
ABL1 P00519 1/20 0.39
GAK O14976 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
NQO2 P16083 1/20 0.38
CSNK2A2 P19784 1/20 0.38
FECH P22830 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 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
SCHEMBL4084888 0.91 TTK (0.57) TTKMAPK8CYP19A1LRRK2
SCHEMBL5383383 0.86 TTK (0.46) TTKSRCABL1GSK3BDYRK1A
SCHEMBL4080252 0.83 CLK2 (0.58) MAPK8GAKDYRK3JAK2PRKD3
SCHEMBL4080032 0.83 CLK2 (0.59) MAPK8GAKDYRK3JAK2PRKD3
SCHEMBL5378750 0.81 TTK (0.62) TTKMAPK8LRRK2MAPKAPK2MAPK1
SCHEMBL4080050 0.81 TTK (0.62) TTKMAPK8MAPKAPK2MAPK1MAP2K4
SCHEMBL4080206 0.80 LRRK2 (0.47) TTKMAPK8CYP19A1CYP2C9CYP2C19
SCHEMBL8257256 0.79 MAPK8 (0.48) TTKMAPK8GAKDYRK3JAK2
SCHEMBL5073569 0.79 TTK (0.44) TTKMAPK8CLK2DYRK1AMAPK1
SCHEMBL8268311 0.78 PRKAG1 (0.49) TTKMAPK8GSK3BDYRK1ACLK4

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 TTK 401/4885MAPK8 213/4885CYP19A1 2082/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TTK 377/4885MAPK8 201/4885CYP19A1 2204/4885

“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.