SCHEMBL5756593

SCHEMBL5756593

O=C(NCc1ccccn1)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
MAPK10 P53779 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 4/20 0.49
ALDH1A1 P00352 7/20 0.48
HPGD P15428 5/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 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
SCHEMBL5820247 0.90 KDM4E (0.47) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL5756316 0.85 KDM4E (0.53) KDM4EHPGDTP53SMN1; SMN2MAPT
SCHEMBL6479297 0.84 POLB (0.46) KDM4EHTTSMN1; SMN2MAPK1MAPT
SCHEMBL5754686 0.82 KDR (0.43) KDM4ELMNAMAPK1MAPT
SCHEMBL6480282 0.81 KMT2A (0.46) KDM4ELMNAHTTRAB9ASMN1; SMN2
SCHEMBL5757017 0.81 HDAC11 (0.43) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL5756543 0.80 HDAC11 (0.39) KDM4EHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL5754310 0.80 RAB9A (0.55) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL5756863 0.80 ITK (0.58) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL5757735 0.80 HPGD (0.52) KDM4EMAPK10HSD17B10LMNAHTT

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 KDM4E 765/4885MAPK10 253/4885HSD17B10 3814/4885

“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.