SCHEMBL2414965

SCHEMBL2414965

Cc1ccccc1CC(=O)Nc1n[nH]c2sc(C(=O)Nc3c(Cl)cccc3Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.50
MAPK14 Q16539 5/20 0.41
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK13 O15264 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK12 P53778 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
SCHEMBL2417616 0.91 KMT2A (0.43) LCKCDK1CDK4CDK2NPC1
SCHEMBL2417161 0.91 LCK (0.41) LCKCDK2NPC1KDM4EALDH1A1
SCHEMBL2422194 0.89 ALDH1A1 (0.40) LCKCDK1CDK4CDK2NPC1
SCHEMBL2420087 0.87 MAPT (0.49) LCKMAPTMEN1KMT2ATTK
SCHEMBL2418999 0.87 MAPT (0.48) LCKCDK1CDK4CDK2NPC1
SCHEMBL2412951 0.87 CDK2 (0.45) CDK1CDK4CDK2KDM4EMAPT
SCHEMBL2418996 0.86 CDK2 (0.41) MAPK14CDK1CDK4CDK2NPC1
SCHEMBL2416733 0.85 MAPT (0.47) NPC1HPGDMAPTMEN1KMT2A
SCHEMBL2415476 0.84 CDK2 (0.44) CDK1CDK4CDK2NPC1KDM4E
SCHEMBL2414134 0.84 SMN1; SMN2 (0.45) NPC1ALDH1A1HPGDMAPTMEN1

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-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

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 LCK 163/4885MAPK14 80/4885CDK1 21/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 LCK 163/4885MAPK14 80/4885CDK1 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.