SCHEMBL628631

SCHEMBL628631

O=C1c2ccccc2C(=O)N1c1n[nH]c2cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.47
PDPK1 O15530 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR2 Q92731 3/20 0.42
GAA P10253 2/20 0.40
NR1H3 Q13133 3/20 0.39
NR1H2 P55055 1/20 0.39
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
ALPL P05186 2/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 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
SCHEMBL627900 0.89 GAA (0.45) ESR1MEN1KMT2AHSD17B10ESR2
SCHEMBL30860191 0.82 CYP1A2 (0.46) PDPK1MEN1KMT2AHSD17B10GAA
SCHEMBL215547 0.82 CYP1A2 (0.46) PDPK1MEN1KMT2AHSD17B10GAA
SCHEMBL627442 0.80 ALPL (0.49) MEN1KMT2AHSD17B10GAANR1H3
SCHEMBL2452033 0.76 ALPL (0.43) ALPLFGFR1
SCHEMBL31052682 0.74 ALPL (0.46) MEN1KMT2AGAAALPLALDH1A1
SCHEMBL10112092 0.74 GSK3A (0.38) HSD17B10ALPLPARP1ALDH1A1
SCHEMBL627934 0.74 CA12 (0.38) HSP90AB1KMT2AHSD17B10ALPLALDH1A1
SCHEMBL20402739 0.73 ALPL (0.35) MEN1KMT2ANR1H3ALPLPARP1
SCHEMBL2634991 0.71 MAP2K4 (0.45) PDPK1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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

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-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K15, MAP3K3, MAP3K5 ESR1 3409/4885PDPK1 28/4885HSP90AB1 1430/4885

“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.