SCHEMBL2408560

SCHEMBL2408560

O=C(Nc1n[nH]c2sc(C(=O)Nc3cccc(F)c3)cc12)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KCNK3 O14649 2/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HPGD P15428 1/20 0.50
KCNK9 Q9NPC2 1/20 0.48
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CLK2 P49760 1/20 0.47
CSNK2A1 P68400 1/20 0.47
ROCK1 Q13464 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ESR1 P03372 1/20 0.46
ESRRG P62508 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2416480 0.93 KCNK3 (0.57) MEN1KMT2AKCNK3NPC1RAB9A
SCHEMBL2412552 0.93 JAK2 (0.48) MEN1KMT2AKCNK3NPC1RAB9A
SCHEMBL2421407 0.93 KCNK3 (0.46) MEN1KMT2AKCNK3NPC1RAB9A
SCHEMBL2977381 0.91 KCNK3 (0.44) MEN1KMT2AKCNK3NPC1RAB9A
SCHEMBL2418275 0.91 RXFP1 (0.52) MEN1KMT2AKCNK3NPC1RAB9A
SCHEMBL2417368 0.91 KDR (0.51) MEN1KMT2AKCNK3NPC1RAB9A
SCHEMBL4631748 0.88 AURKA (0.47) MEN1KMT2AKCNK3NPC1RAB9A
SCHEMBL2417159 0.87 USP2 (0.50) MEN1KMT2ANPC1RAB9ADYRK3
SCHEMBL2421082 0.87 RAB9A (0.51) MEN1KMT2ANPC1RAB9ADYRK3
SCHEMBL2421337 0.85 JAK2 (0.52) MEN1KMT2AKCNK3NPC1RAB9A

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 MEN1 2694/4885KMT2A 1298/4885KCNK3 571/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 MEN1 2694/4885KMT2A 1298/4885KCNK3 571/4885

“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.