SCHEMBL2416337

SCHEMBL2416337

CCc1cccc(CC)c1NC(=O)c1cc2c(NC(=O)Cc3ccc(F)cc3)n[nH]c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
CDK2 P24941 6/20 0.41
CDK1 P06493 2/20 0.41
CDK4 P11802 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GSK3B P49841 2/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2414213 0.92 CDK2 (0.41) CDK2CDK1CDK4ALDH1A1GSK3B
SCHEMBL2417717 0.92 CDK2 (0.48) MAPK1CDK2CDK1CDK4GSK3B
SCHEMBL2419140 0.91 CDK2 (0.42) MAPK1CDK2CDK1CDK4ALDH1A1
SCHEMBL2420145 0.90 NLRP3 (0.44) CDK2ALDH1A1GSK3BHPGDMEN1
SCHEMBL2421444 0.89 NLRP3 (0.44) CDK2ALDH1A1KDM4EHDAC1SMN1; SMN2
SCHEMBL2420091 0.88 CDK2 (0.42) MAPK1CDK2CDK1ALDH1A1KDM4E
SCHEMBL2416533 0.88 CDK2 (0.41) MAPK1CDK2CDK1CDK4ALDH1A1
SCHEMBL2417161 0.85 LCK (0.41) CDK2ALDH1A1KDM4EHPGDMEN1
SCHEMBL2421250 0.85 ALDH1A1 (0.46) MAPK1CDK2CDK1CDK4ALDH1A1
SCHEMBL2412430 0.84 ALDH1A1 (0.59) MAPK1CDK2CDK1CDK4ALDH1A1

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 11 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-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 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 MAPK1 138/4885CDK2 1/4885CDK1 21/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 MAPK1 138/4885CDK2 1/4885CDK1 21/4885

“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.