SCHEMBL4089658

SCHEMBL4089658

COc1ccc2cc(-c3n[nH]c4ccc(C(=O)O)cc34)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.61
KDM4E B2RXH2 2/20 0.57
MAP2K4 P45985 5/20 0.56
MAPK1 P28482 4/20 0.56
MAPKAPK3 Q16644 4/20 0.56
MAPK6 Q16659 4/20 0.56
PRKAG1 P54619 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PRKAB1 Q9Y478 1/20 0.54
ITK Q08881 5/20 0.49
TTK P33981 1/20 0.49
CHEK2 O96017 1/20 0.46
FLT3 P36888 3/20 0.46
MAPKAPK2 P49137 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5372669 0.89 MAP2K4 (0.57) BTKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2868570 0.86 MAP2K4 (0.59) MAP2K4MAPK1MAPKAPK3MAPK6PRKAG1
SCHEMBL2855850 0.85 MAP2K4 (0.59) MAP2K4MAPK1MAPKAPK3MAPK6ITK
SCHEMBL4079654 0.84 FLT3 (0.55) BTKMAPK1ITKTTKFLT3
SCHEMBL13811895 0.82 FLT3 (0.58) BTKKDM4EMAPK1ITKFLT3
SCHEMBL4043448 0.81 BTK (0.45) BTKKDM4EMAP2K4MAPK1MAPKAPK3
Hydrochloric Acid SCHEMBL4083323 0.81 BTK (0.44) BTKKDM4EMAP2K4MAPK1MAPKAPK3
Hydrochloric Acid SCHEMBL5397824 0.81 BTK (0.44) BTKKDM4EMAP2K4MAPK1MAPKAPK3
SCHEMBL31172341 0.81 FLT3 (0.69) KDM4EITKCHEK2FLT3NPC1
SCHEMBL4083929 0.80 BTK (0.43) BTKKDM4EMAP2K4MAPK1MAPKAPK3

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 BTK 548/4885KDM4E 3468/4885MAP2K4 358/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 BTK 593/4885KDM4E 3359/4885MAP2K4 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.