SCHEMBL2418693

SCHEMBL2418693

Cc1ccccc1CC(=O)Nc1n[nH]c2sc(C(=O)Nc3cccc(C#N)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
DUSP3 P51452 1/20 0.44
LMNA P02545 2/20 0.43
ESRRG P62508 1/20 0.41
GRM4 Q14833 1/20 0.40
LRRK2 Q5S007 2/20 0.39
TTK P33981 1/20 0.39
HTT P42858 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
POLB P06746 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL2418266 0.90 TP53 (0.43) TP53ALDH1A1DUSP3LMNAESRRG
SCHEMBL2416733 0.89 MAPT (0.47) TP53ESRRGTTKPOLBRXFP1
SCHEMBL2422119 0.88 LMNA (0.59) TP53ALDH1A1DUSP3LMNAESRRG
SCHEMBL2417872 0.87 LMNA (0.48) TP53ALDH1A1DUSP3LMNAESRRG
SCHEMBL2420087 0.87 MAPT (0.49) TP53TTKPOLBRXFP1
SCHEMBL2414134 0.87 SMN1; SMN2 (0.45) TP53ALDH1A1LMNAESRRGTTK
SCHEMBL2413756 0.85 POLB (0.46) TP53HTTPOLBRXFP1
SCHEMBL2418142 0.84 THRB (0.43) TP53ALDH1A1LMNA
SCHEMBL2418951 0.84 NR1H4 (0.48) TP53ALDH1A1DUSP3LMNAESRRG
SCHEMBL2420152 0.84 LMNA (0.48) TP53ALDH1A1LMNAESRRGGRM4

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 282/4885ALDH1A1 2743/4885DUSP3 446/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 TP53 282/4885ALDH1A1 2743/4885DUSP3 446/4885

“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.