SCHEMBL2415096

SCHEMBL2415096

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
NLRP3 Q96P20 2/20 0.45
CLK1 P49759 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
MAPK14 Q16539 1/20 0.42
MCHR1 Q99705 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
HTT P42858 1/20 0.42
SETD7 Q8WTS6 1/20 0.41
VNN1 O95497 1/20 0.40

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
SCHEMBL2417872 0.91 LMNA (0.48) LMNANLRP3TP53ALDH1A1GAA
SCHEMBL2417035 0.90 USP2 (0.51) LMNANLRP3HDAC1SMN1; SMN2TP53
SCHEMBL2422119 0.90 LMNA (0.59) LMNASMN1; SMN2TP53ALDH1A1AURKA
SCHEMBL2418951 0.89 NR1H4 (0.48) LMNANLRP3TP53ALDH1A1
SCHEMBL2420152 0.89 LMNA (0.48) LMNANLRP3TP53KDM4EALDH1A1
SCHEMBL2415426 0.89 LMNA (0.48) LMNAHDAC1SMN1; SMN2TP53KDM4E
SCHEMBL2413237 0.88 TP53 (0.55) LMNANLRP3HDAC1SMN1; SMN2TP53
SCHEMBL2417977 0.87 TP53 (0.56) LMNANLRP3HDAC1SMN1; SMN2TP53
SCHEMBL2415952 0.87 NLRP3 (0.48) LMNANLRP3HDAC1SMN1; SMN2TP53
SCHEMBL2416383 0.85 USP2 (0.49) LMNANLRP3SMN1; SMN2TP53ALDH1A1

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 LMNA 3736/4885NLRP3 1495/4885CLK1 227/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 LMNA 3736/4885NLRP3 1495/4885CLK1 227/4885

“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.