SCHEMBL2412951

SCHEMBL2412951

O=C(Cc1ccccc1)Nc1n[nH]c2sc(C(=O)Nc3c(Cl)cccc3Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.45
NPY5R Q15761 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
SGK1 O00141 1/20 0.40
NR4A1 P22736 1/20 0.39
MAPK1 P28482 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39

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
SCHEMBL2415476 0.93 CDK2 (0.44) CDK2NPY5RKDM4EMAPTCDK1
SCHEMBL2418996 0.91 CDK2 (0.41) CDK2KDM4EMAPTCDK1CDK4
SCHEMBL2416533 0.91 CDK2 (0.41) CDK2KDM4ECDK1CDK4MAPK1
SCHEMBL2417194 0.90 MAPT (0.48) CDK2NPY5RKDM4EMAPTJAK2
SCHEMBL2418629 0.90 NLRP3 (0.44) CDK2CDK1MAPK1JAK2JAK1
SCHEMBL2419104 0.89 NLRP3 (0.44) CDK2KDM4EMAPT
SCHEMBL2417717 0.87 CDK2 (0.48) CDK2MAPTCDK1CDK4MAPK1
SCHEMBL2422194 0.87 ALDH1A1 (0.40) CDK2MAPTCDK1CDK4JAK2
SCHEMBL2414965 0.87 LCK (0.50) CDK2KDM4EMAPTCDK1CDK4
SCHEMBL2418505 0.86 RXFP1 (0.52) CDK2KDM4EMAPTCDK1CDK4

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 CDK2 1/4885NPY5R 3763/4885KDM4E 1232/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 CDK2 1/4885NPY5R 3763/4885KDM4E 1232/4885

“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.