SCHEMBL2412430

SCHEMBL2412430

Cc1cccc(NC(=O)c2cc3c(NC(=O)Cc4ccc(F)cc4)n[nH]c3s2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
MAPT P10636 5/20 0.44
MAPK1 P28482 2/20 0.44
FLT3 P36888 2/20 0.44
CDK1 P06493 2/20 0.44
CDK2 P24941 2/20 0.44
KDR P35968 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
CHEK2 O96017 1/20 0.44
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
PRKACA P17612 1/20 0.44
FLT1 P17948 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MARK3 P27448 1/20 0.44

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
SCHEMBL2414489 0.94 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPTFLT3
SCHEMBL2417413 0.92 MAPT (0.51) ALDH1A1KDM4EHPGDMAPTFLT3
SCHEMBL2421250 0.92 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL2416783 0.91 TP53 (0.51) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL2414222 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL2422135 0.90 NLRP3 (0.48) ALDH1A1KDM4EHPGDMAPTFLT3
SCHEMBL2417376 0.89 USP2 (0.49) ALDH1A1KDM4EHPGDMAPTFLT3
SCHEMBL2413237 0.89 TP53 (0.55) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL2417480 0.89 MAPT (0.46) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL2415426 0.87 LMNA (0.48) ALDH1A1KDM4EHPGDMAPTMAPK1

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 ALDH1A1 2743/4885KDM4E 1232/4885HPGD 2331/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 ALDH1A1 2743/4885KDM4E 1232/4885HPGD 2331/4885

“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.