SCHEMBL628596

SCHEMBL628596

CNc1n[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.58
MAP2K4 P45985 3/20 0.52
MAPK1 P28482 2/20 0.52
MAPKAPK3 Q16644 2/20 0.52
MAPK6 Q16659 2/20 0.52
MAPKAPK2 P49137 1/20 0.52
TRPA1 O75762 3/20 0.51
GSK3B P49841 2/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNQ1 P51787 1/20 0.47
SCN5A Q14524 1/20 0.47
KIF11 P52732 3/20 0.45
CHUK O15111 1/20 0.44
DHODH Q02127 1/20 0.44
GRM4 Q14833 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CCR2 P41597 3/20 0.43
KCNH2 Q12809 3/20 0.43

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
SCHEMBL12056341 0.85 GRM4 (0.44) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL13810908 0.84 PDPK1 (0.54) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL11703556 0.84 FADS1 (0.58) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL11748390 0.80 FADS1 (0.54) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL13893770 0.80 FADS1 (0.42) FADS1MAPK1TRPA1GSK3BGRM4
SCHEMBL13122324 0.78 MAP2K4 (0.56) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2431672 0.78 FADS1 (0.55) FADS1MAP2K4MAPK1GSK3BKCNH2
SCHEMBL2661765 0.78 FADS1 (0.52) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL11969786 0.78 GSK3B (0.49) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL6476809 0.77 GSK3B (0.82) GSK3B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP disclosed
EP-1820503-B1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA SRL (IT) 2012-02-22 EP disclosed
EP-1432416-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2011-01-19 EP disclosed
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US disclosed
US-7511136-B2 Aminoindazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-31 US disclosed
EP-1820503-A2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them Pfizer Italia S.r.l. (IT) 2007-08-22 EP disclosed
US-20060106083-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2006-05-18 US disclosed
EP-1506176-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-02-16 EP disclosed
CN-1556702-A Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them 2004-12-22 CN disclosed
US-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2004-12-16 US disclosed
EP-1432416-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-30 EP disclosed
WO-2003097610-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-11-27 WO disclosed
WO-2003028720-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-04-10 WO disclosed
US-RE28939-E MUSCLE RELAXANTS, ANALGESICS SMITHKLINE CORPORATION (US) 1976-08-24 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-20060106083-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K3, MAP3K20 FADS1 3676/4885MAP2K4 172/4885MAPK1 210/4885
US-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K15, MAP3K3, MAP3K5 FADS1 4010/4885MAP2K4 278/4885MAPK1 156/4885

“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.