SCHEMBL2410792

SCHEMBL2410792

CCc1cccc(CC)c1NC(=O)c1cc2c(NC(=O)c3cccc(F)c3)n[nH]c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
AURKA O14965 3/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
DCLK1 O15075 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 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
SCHEMBL2414984 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EAURKACCNA2CDK2
SCHEMBL2420127 0.87 SMN1; SMN2 (0.50) ALDH1A1KDM4ECCNA2CDK2CCNA1
SCHEMBL2417159 0.86 USP2 (0.50) ALDH1A1AURKACCNA2CDK2CCNA1
SCHEMBL4706928 0.86 MAPK1 (0.46) AURKATP53CDC7RPS6KB1MAPK1
SCHEMBL2408560 0.85 MEN1 (0.51) KDM4EAURKACCNA2CDK2CCNA1
SCHEMBL4631748 0.84 AURKA (0.47) ALDH1A1KDM4EAURKACCNA2CDK2
SCHEMBL2416337 0.83 MAPK1 (0.42) ALDH1A1KDM4ECDK2MEN1KMT2A
SCHEMBL2416480 0.83 KCNK3 (0.57) ALDH1A1AURKACCNA2CDK2CCNA1
SCHEMBL2421082 0.82 RAB9A (0.51) ALDH1A1AURKACCNA2CDK2CCNA1
SCHEMBL2420091 0.82 CDK2 (0.42) ALDH1A1KDM4ECCNA2CDK2CCNA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US disclosed
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 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 (2 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 ALDH1A1 2743/4885KDM4E 1232/4885AURKA 41/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 ALDH1A1 2743/4885KDM4E 1232/4885AURKA 41/4885

“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.