SCHEMBL5757735

SCHEMBL5757735

O=C(NCc1ccco1)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.52
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PSMD14 O00487 1/20 0.45
MAPK8 P45983 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 4/20 0.44
TSHR P16473 3/20 0.44
MAPK10 P53779 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
SGMS2 Q8NHU3 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 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
SCHEMBL5756316 0.83 KDM4E (0.53) HPGDSMN1; SMN2MAPTKDM4EMEN1
SCHEMBL5754686 0.82 KDR (0.43) MAPTKDM4ELMNAMAPK1
SCHEMBL6479297 0.82 POLB (0.46) SMN1; SMN2POLBMAPTHTTKDM4E
SCHEMBL6480282 0.81 KMT2A (0.46) SMN1; SMN2MAPTHTTKDM4EMEN1
SCHEMBL5757017 0.81 HDAC11 (0.43) HPGDMAPTALDH1A1KDM4ELMNA
SCHEMBL5756543 0.80 HDAC11 (0.39) SMN1; SMN2MAPTHTTALDH1A1KDM4E
SCHEMBL5756593 0.80 KDM4E (0.49) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL5757284 0.80 HPGD (0.55) HPGDPOLBMAPTALDH1A1MEN1
SCHEMBL5752278 0.80 HPGD (0.55) HPGDPOLBMAPTALDH1A1MEN1
SCHEMBL5756899 0.79 KMT2A (0.41) SMN1; SMN2POLBALDH1A1KDM4EMEN1

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 1550/4885NPSR1 3161/4885SMN1; SMN2 4414/4885

“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.