SCHEMBL2413237

SCHEMBL2413237

COc1ccc(CC(=O)Nc2n[nH]c3sc(C(=O)Nc4cccc(C)c4)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.55
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
NLRP3 Q96P20 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.46
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
MAPK10 P53779 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL2417035 0.93 USP2 (0.51) TP53NLRP3SMN1; SMN2NPC1RAB9A
SCHEMBL2414489 0.92 KDM4E (0.48) TP53NLRP3SMN1; SMN2NPC1RAB9A
SCHEMBL2416383 0.91 USP2 (0.49) TP53CRHBPCRHR2NLRP3SMN1; SMN2
SCHEMBL2415952 0.90 NLRP3 (0.48) TP53NLRP3SMN1; SMN2LMNAHTT
SCHEMBL2417977 0.90 TP53 (0.56) TP53NLRP3SMN1; SMN2NPC1RAB9A
SCHEMBL2417413 0.90 MAPT (0.51) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2412430 0.89 ALDH1A1 (0.59) TP53SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2416783 0.89 TP53 (0.51) TP53NLRP3SMN1; SMN2NPC1RAB9A
SCHEMBL2422135 0.89 NLRP3 (0.48) TP53NLRP3SMN1; SMN2NPC1RAB9A
SCHEMBL2415096 0.88 LMNA (0.46) TP53NLRP3SMN1; SMN2LMNAHTT

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 TP53 282/4885CRHBP 3156/4885CRHR2 3959/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 TP53 282/4885CRHBP 3156/4885CRHR2 3959/4885

“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.