SCHEMBL4481983

SCHEMBL4481983

COc1ccc(F)cc1-c1ccc2c(N)n[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.58
PDPK1 O15530 7/20 0.50
ROCK1 Q13464 3/20 0.50
AURKA O14965 2/20 0.50
TGFBR1 P36897 2/20 0.50
AURKB Q96GD4 2/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
JAK2 O60674 1/20 0.48
SGK1 O00141 2/20 0.46
ABL1 P00519 3/20 0.46
BCR P11274 2/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL13525282 0.85 PDPK1 (0.51) HDAC6PDPK1ROCK1AURKATGFBR1
SCHEMBL4491195 0.85 DHFR (0.60) HDAC6PDPK1ROCK1AURKATGFBR1
SCHEMBL4494105 0.85 SCN5A (0.62) HDAC6PDPK1ROCK1AURKATGFBR1
SCHEMBL13524501 0.82 PDPK1 (0.48) HDAC6PDPK1ROCK1AURKATGFBR1
SCHEMBL4491535 0.82 SGK1 (0.56) PDPK1ROCK1AURKATGFBR1AURKB
SCHEMBL18096620 0.80 SCN9A (0.80) HDAC6PDPK1ROCK1AURKATGFBR1
SCHEMBL4488293 0.79 HDAC6 (0.75) HDAC6CYP1A2FGFR1GSK3AGSK3B
SCHEMBL13525280 0.78 JAK2 (0.56) PDPK1ROCK1AURKATGFBR1AURKB
SCHEMBL4502056 0.77 PDPK1 (0.53) PDPK1ROCK1AURKATGFBR1AURKB
SCHEMBL4494073 0.77 JAK2 (0.72) PDPK1ROCK1AURKATGFBR1AURKB

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-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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HDAC6 675/4885PDPK1 34/4885ROCK1 871/4885

“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.