SCHEMBL2415757

SCHEMBL2415757

CC(C)(C)c1ccc(C(=O)Nc2n[nH]c3sc(C(=O)Nc4ccccc4)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.53
AURKA O14965 2/20 0.50
NAMPT P43490 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TRPV1 Q8NER1 5/20 0.45
NR1H4 Q96RI1 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNK3 O14649 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
SCHEMBL2419927 0.91 AURKA (0.50) KCNK9AURKANPC1RAB9ASMN1; SMN2
SCHEMBL2416482 0.91 TRPV1 (0.49) NPC1RAB9ATRPV1SMN1; SMN2HDAC3
SCHEMBL2419029 0.90 AURKA (0.51) AURKANAMPTNPC1RAB9ATP53
SCHEMBL2419012 0.90 TRPV1 (0.47) NPC1RAB9ATRPV1SMN1; SMN2HDAC3
SCHEMBL2418398 0.90 NPC1 (0.59) NPC1RAB9ATRPV1NR1H4THRB
SCHEMBL2411528 0.88 MEN1 (0.50) KCNK9AURKANPC1RAB9ASMN1; SMN2
SCHEMBL2421048 0.88 MAPT (0.52) AURKANAMPTNPC1RAB9ATHRB
SCHEMBL2419056 0.88 TP53 (0.52) NPC1RAB9ATRPV1NR1H4TP53
SCHEMBL2421114 0.88 KCNK9 (0.53) KCNK9AURKANPC1RAB9ATP53
SCHEMBL2411619 0.87 NR1H4 (0.45) AURKANPC1RAB9ATRPV1NR1H4

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 KCNK9 817/4885AURKA 41/4885NAMPT 1481/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 KCNK9 817/4885AURKA 41/4885NAMPT 1481/4885

“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.