SCHEMBL2417568

SCHEMBL2417568

COc1ccccc1CC(=O)Nc1n[nH]c2sc(C(=O)NCc3ccc(F)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CSNK1D P48730 1/20 0.49
KDR P35968 2/20 0.46
MAPKAPK2 P49137 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
CSNK2A2 P19784 1/20 0.43
PLK1 P53350 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2416340 0.94 KDR (0.50) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2417889 0.93 KDR (0.54) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2418312 0.93 CYP1A2 (0.48) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2415473 0.93 SMN1; SMN2 (0.50) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2416830 0.92 MAPT (0.50) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2420155 0.91 KDM4E (0.50) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2415656 0.90 CYP1A2 (0.49) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2417711 0.88 CYP1A2 (0.51) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2417426 0.88 CSNK1D (0.46) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2415670 0.88 CSNK1D (0.56) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9

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 NPSR1 4213/4885CYP1A2 2131/4885CYP3A4 1330/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 NPSR1 4213/4885CYP1A2 2131/4885CYP3A4 1330/4885

“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.