SCHEMBL2416092

SCHEMBL2416092

CC(C)(C)c1ccc(CC(=O)Nc2n[nH]c3sc(C(=O)Nc4cccc(Cl)c4)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.48
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NR1H4 Q96RI1 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX1 P51575 1/20 0.40
HSD17B10 Q99714 1/20 0.39
AHR P35869 1/20 0.39
PARP1 P09874 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
PPARG P37231 1/20 0.39
RORC P51449 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
SCHEMBL2416650 0.92 MAPT (0.48) NLRP3MAPTMEN1KMT2ARXFP1
SCHEMBL2420156 0.91 MAPT (0.47) NLRP3MAPTMEN1KMT2ARXFP1
SCHEMBL2422135 0.90 NLRP3 (0.48) NLRP3MAPTMEN1KMT2ARXFP1
SCHEMBL2418505 0.90 RXFP1 (0.52) MAPTMEN1KMT2ARXFP1TP53
SCHEMBL2422254 0.90 NLRP3 (0.48) NLRP3MAPTTP53L3MBTL1NR1H4
SCHEMBL2417480 0.89 MAPT (0.46) NLRP3MAPTMEN1KMT2ARXFP1
SCHEMBL2417977 0.89 TP53 (0.56) NLRP3MAPTMEN1KMT2ARXFP1
SCHEMBL2418326 0.88 USP2 (0.48) NLRP3MAPTMEN1KMT2ATP53
SCHEMBL2418629 0.88 NLRP3 (0.44) NLRP3NR1H4
SCHEMBL2418951 0.87 NR1H4 (0.48) NLRP3TP53NR1H4PARP1ANO1

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 NLRP3 1495/4885MAPT 2293/4885MEN1 2694/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 NLRP3 1495/4885MAPT 2293/4885MEN1 2694/4885

“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.