SCHEMBL2417849

SCHEMBL2417849

Cc1ccc(NC(=O)c2cc3c(NC(=O)c4ccccc4)n[nH]c3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RXFP1 Q9HBX9 2/20 0.48
AURKA O14965 1/20 0.46
CDK7 P50613 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
TP53 P04637 1/20 0.45
FLT3 P36888 1/20 0.45
LRRK2 Q5S007 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43

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
SCHEMBL2419029 0.96 AURKA (0.51) NPC1RAB9AMAPTSMN1; SMN2RXFP1
SCHEMBL2415937 0.94 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2RXFP1
SCHEMBL2419927 0.92 AURKA (0.50) NPC1RAB9AMAPTSMN1; SMN2AURKA
SCHEMBL2419957 0.92 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2RXFP1
SCHEMBL2416219 0.89 KCNK3 (0.53) NPC1RAB9AMAPTSMN1; SMN2RXFP1
SCHEMBL2420353 0.89 MAPT (0.47) NPC1RAB9AMAPTRXFP1KMT2A
SCHEMBL2415699 0.89 RAB9A (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL2416482 0.89 TRPV1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2417144 0.89 MAPT (0.47) NPC1RAB9AMAPTRXFP1KMT2A
SCHEMBL2418639 0.89 RAB9A (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53

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 NPC1 3758/4885RAB9A 2089/4885MAPT 2293/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 NPC1 3758/4885RAB9A 2089/4885MAPT 2293/4885

“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.