SCHEMBL5757017

SCHEMBL5757017

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.43
PLK1 P53350 3/20 0.41
MTNR1A P48039 1/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 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
SCHEMBL5752672 0.88 HDAC11 (0.41) HDAC11KDM4EALDH1A1CYP1A2MAPT
SCHEMBL5754686 0.87 KDR (0.43) HDAC11MTNR1AKDM4ELMNACYP1A2
SCHEMBL5756543 0.85 HDAC11 (0.39) HDAC11KDM4EALDH1A1MAPTTSHR
SCHEMBL5755838 0.84 BRAF (0.44) HDAC11KDM4EALDH1A1NPC1LMNA
SCHEMBL5755265 0.84 PBRM1 (0.40) HDAC11KDM4EALDH1A1CYP1A2HPGD
SCHEMBL5756316 0.84 KDM4E (0.53) KDM4ETP53MAPTHPGDITK
SCHEMBL5756899 0.84 KMT2A (0.41) HDAC11KDM4EALDH1A1TP53HSD17B10
SCHEMBL5757543 0.84 KDM4E (0.46) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL6490263 0.84 HDAC11 (0.41) HDAC11KDM4EALDH1A1MAPTITK
SCHEMBL5752743 0.83 PARP1 (0.40) HDAC11PKN1PKN2KDM4EALDH1A1

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 HDAC11 1178/4885PLK1 34/4885MTNR1A 2500/4885

“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.