SCHEMBL5757284

SCHEMBL5757284

O=C(NCc1ccco1)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 4/20 0.48
ITK Q08881 4/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 2/20 0.47
INSR P06213 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 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
SCHEMBL5752278 0.92 HPGD (0.55) HPGDMAPTTSHRNPC1TP53
SCHEMBL5756912 0.83 ITK (0.66) ITKKMT2AINSRCCNE1CDK2
SCHEMBL5756552 0.81 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL5758728 0.81 ITK (0.54) ITKINSRCCNE1CDK2LMNA
SCHEMBL5757735 0.80 HPGD (0.52) HPGDMAPTTSHRALDH1A1KMT2A
SCHEMBL5756863 0.80 ITK (0.58) HPGDNPC1RAB9AALDH1A1ITK
SCHEMBL13650122 0.80 ITK (0.75) HPGDMAPTTSHRNPC1TP53
SCHEMBL5756620 0.80 ITK (0.53) MAPTTP53ITKINSRCCNE1
SCHEMBL5757315 0.79 ITK (0.53) HPGDNPC1RAB9AALDH1A1ITK
SCHEMBL5752622 0.78 ITK (0.50) HPGDMAPTALDH1A1ITKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 HPGD 1550/4885MAPT 1668/4885TSHR 2449/4885

“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.