SCHEMBL5789255

SCHEMBL5789255

O=C(Cc1ccccc1)Nc1cccc2[nH]c(-c3cn[nH]c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 9/20 0.50
CCKBR P32239 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ROCK2 O75116 2/20 0.43
AURKA O14965 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
TTK P33981 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41

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 0.86 PDE10A (0.47) PARP14ROCK2AURKACCNA2CDK2
SCHEMBL5820546 0.85 PARP14 (0.47) PARP14ALDH1A1MAPK1HSD17B10ROCK2
SCHEMBL5820020 0.84 NTRK1 (0.49) PARP14ALDH1A1AURKACCNA2CDK2
SCHEMBL5759467 0.83 KDM4E (0.44) MAPK1ROCK2AURKACCNA2CDK2
SCHEMBL5814937 0.80 ROCK2 (0.52) ALDH1A1MAPK1HSD17B10ROCK2AURKA
SCHEMBL5754049 0.79 MDM4 (0.41) ROCK2AURKACCNA2CDK2TTK
SCHEMBL6479954 0.79 ROCK2 (0.51) ALDH1A1MAPK1HSD17B10ROCK2AURKA
SCHEMBL17407608 0.72 ROCK2 (0.77) ROCK2
SCHEMBL11900441 0.70 ALDH1A1 (0.70) PARP14ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6055223 0.70 EPHX2 (0.62) ALDH1A1HSD17B10ROCK2SMN1; SMN2GAA

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 PARP14 973/4885CCKBR 3426/4885ALDH1A1 2469/4885

“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.