SCHEMBL5754686

SCHEMBL5754686

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
HDAC11 Q96DB2 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
ITK Q08881 4/20 0.38
AURKA O14965 1/20 0.36
LCK P06239 1/20 0.36
MET P08581 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
JAK2 O60674 1/20 0.35
MAPT P10636 2/20 0.35
PDE5A O76074 1/20 0.35
MAPK1 P28482 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
LMNA P02545 1/20 0.34
RIPK1 Q13546 1/20 0.34
ADRA1D P25100 1/20 0.34

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 0.91 HDAC11 (0.39) KDRHDAC11KDM4EITKAURKA
SCHEMBL5752805 0.89 TSHR (0.47) HDAC11KDM4EMAPTRIPK1
SCHEMBL5757543 0.88 KDM4E (0.46) KDRKDM4EITKAURKAMET
SCHEMBL6490263 0.88 HDAC11 (0.41) HDAC11KDM4EITKMAPTMAPK1
SCHEMBL5756899 0.88 KMT2A (0.41) HDAC11KDM4EJAK2ADRA1DADRA1A
SCHEMBL5757017 0.87 HDAC11 (0.43) HDAC11KDM4ECYP1A2ITKAURKB
SCHEMBL5756316 0.85 KDM4E (0.53) KDM4EITKMAPT
SCHEMBL5756000 0.85 MEN1 (0.46) HDAC11KDM4EMAPT
SCHEMBL5752672 0.85 HDAC11 (0.41) KDRHDAC11KDM4ECYP1A2MAPT
SCHEMBL6488444 0.84 HDAC1 (0.44) HDAC11KDM4E

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 KDR 1419/4885HDAC11 1178/4885KDM4E 765/4885

“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.