SCHEMBL5757543

SCHEMBL5757543

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PYGL P06737 1/20 0.44
ITK Q08881 2/20 0.43
ATM Q13315 1/20 0.42
MAPK1 P28482 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
AURKA O14965 1/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL5756543 0.90 HDAC11 (0.39) KDM4ESMN1; SMN2ITKMAPK1MAPT
SCHEMBL5752805 0.88 TSHR (0.47) KDM4ESMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL5754686 0.88 KDR (0.43) KDM4EITKMAPK1LMNAMAPT
SCHEMBL6490263 0.87 HDAC11 (0.41) KDM4ESMN1; SMN2ITKMAPK1MAPT
SCHEMBL5756000 0.87 MEN1 (0.46) KDM4EADORA2APOLBHPGDHSD17B10
SCHEMBL6488444 0.86 HDAC1 (0.44) KDM4EADORA2APOLBHPGDHSD17B10
SCHEMBL6479357 0.85 KDM4E (0.49) KDM4EPOLBHPGDHSD17B10ALDH1A1
SCHEMBL6479745 0.85 HDAC11 (0.38) KDM4ESMN1; SMN2ITKATMMAPK1
SCHEMBL5756899 0.85 KMT2A (0.41) KDM4ESMN1; SMN2POLBTP53HSD17B10
SCHEMBL5753543 0.84 MAPK1 (0.42) KDM4ESMN1; SMN2ITKMAPK1POLB

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 765/4885SMN1; SMN2 4414/4885PYGL 578/4885

“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.