SCHEMBL5759467

SCHEMBL5759467

CC(C)CC(=O)Nc1cccc2[nH]c(-c3cn[nH]c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
DYRK1A Q13627 6/20 0.42
CLK2 P49760 5/20 0.42
CLK3 P49761 5/20 0.42
AURKA O14965 3/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
TTK P33981 3/20 0.42
POLB P06746 1/20 0.40
GSK3B P49841 1/20 0.39
FYN P06241 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ITK Q08881 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL6479734 0.88 PDE10A (0.47) KDM4EDYRK1ACLK2CLK3AURKA
SCHEMBL5820546 0.87 PARP14 (0.47) KDM4EMAPK1AURKACCNA2CDK2
SCHEMBL5754049 0.86 MDM4 (0.41) KDM4EDYRK1ACLK2CLK3AURKA
SCHEMBL5789255 0.83 PARP14 (0.50) KDM4ESMN1; SMN2MAPK1DYRK1ACLK2
SCHEMBL5756356 0.80 KDM4E (0.44) KDM4ESMN1; SMN2MAPK1DYRK1ACLK2
SCHEMBL5820020 0.79 NTRK1 (0.49) SMN1; SMN2AURKACCNA2CDK2TTK
SCHEMBL12284941 0.70 SMN1; SMN2 (0.59) SMN1; SMN2POLB
SCHEMBL13373396 0.67 PTPN1 (0.53) KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL5815787 0.66 KCNQ2 (0.49) KDM4ESMN1; SMN2AURKACCNA2CDK2
SCHEMBL6481076 0.65 PDE10A (0.51) KDM4EDYRK1ACLK2CLK3AURKA

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 4414/4885MAPK1 204/4885

“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.