SCHEMBL5756316

SCHEMBL5756316

O=C(NCc1ccccc1)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
NSD2 O96028 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ITK Q08881 1/20 0.45
IMPDH2 P12268 1/20 0.45
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
CHEK1 O14757 1/20 0.44
METAP2 P50579 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TACR3 P29371 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 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
SCHEMBL6479297 0.92 POLB (0.46) KDM4ENSD2SMN1; SMN2KMT2AMEN1
SCHEMBL6480282 0.91 KMT2A (0.46) KDM4ESMN1; SMN2KMT2AMEN1MAPT
SCHEMBL5756593 0.85 KDM4E (0.49) KDM4ESMN1; SMN2MAPTTP53HPGD
SCHEMBL5754686 0.85 KDR (0.43) KDM4EITKMAPT
SCHEMBL5753543 0.84 MAPK1 (0.42) KDM4ESMN1; SMN2ITKKMT2AMEN1
SCHEMBL5757017 0.84 HDAC11 (0.43) KDM4EITKEGFRSRCCHEK1
SCHEMBL5756543 0.83 HDAC11 (0.39) KDM4ESMN1; SMN2ITKALOX5MAPT
SCHEMBL5757735 0.83 HPGD (0.52) KDM4ESMN1; SMN2KMT2AMEN1MAPT
SCHEMBL5755838 0.83 BRAF (0.44) KDM4ESMN1; SMN2EGFRSRCMETAP2
SCHEMBL5756899 0.83 KMT2A (0.41) KDM4ESMN1; SMN2KMT2AMEN1TP53

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 765/4885NSD2 1510/4885SMN1; 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.