SCHEMBL628641

SCHEMBL628641

CN(C)c1n[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.52
MAPK1 P28482 3/20 0.52
MAPK6 Q16659 3/20 0.52
MAPKAPK3 Q16644 2/20 0.52
MAPKAPK2 P49137 1/20 0.52
KIF11 P52732 4/20 0.45
FADS1 O60427 1/20 0.45
TRPA1 O75762 4/20 0.42
CHUK O15111 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.39
METAP2 P50579 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ1 P51787 1/20 0.39
SCN5A Q14524 1/20 0.39
DHODH Q02127 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
SCHEMBL21341662 0.85 KIF11 (0.44) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL627835 0.83 MAP2K4 (0.49) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL13122324 0.78 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL2409215 0.76 MAP2K4 (0.58) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL7371874 0.76 MAP2K4 (0.50) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL2661766 0.76 MAP2K4 (0.55) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL10220250 0.75 MAP2K4 (0.54) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL25241733 0.75 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL11766927 0.75 MAT2A (0.46) FADS1CHUK
SCHEMBL4293891 0.75 PDPK1 (0.58) MAPK1FADS1CHUKGSK3BMETAP2

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-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 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 MAP2K4 172/4885MAPK1 210/4885MAPK6 199/4885
US-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K15, MAP3K3, MAP3K5 MAP2K4 278/4885MAPK1 156/4885MAPK6 161/4885

“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.