SCHEMBL2412480

SCHEMBL2412480

COc1cccc(NC(=O)c2cc3c(NC(=O)c4cccc(Cl)c4)n[nH]c3s2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.49
KDR P35968 1/20 0.49
GRM5 P41594 1/20 0.48
POLB P06746 1/20 0.48
NLRP3 Q96P20 1/20 0.48
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
USP36 Q9P275 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR2 P21802 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
SCHEMBL2414484 0.96 RAB9A (0.58) NPC1RAB9ARXFP1MAPTTP53
SCHEMBL2413051 0.93 RXFP1 (0.57) NPC1RAB9ARXFP1TP53KDR
SCHEMBL2421337 0.91 JAK2 (0.52) NPC1RAB9AMAPTTP53POLB
SCHEMBL2418275 0.89 RXFP1 (0.52) NPC1RAB9ARXFP1TP53KDR
SCHEMBL2417873 0.88 KCNK3 (0.59) NPC1RAB9ARXFP1TP53KDR
SCHEMBL2419112 0.88 KCNK3 (0.57) NPC1RAB9ARXFP1MAPTTP53
SCHEMBL2417368 0.87 KDR (0.51) NPC1RAB9ARXFP1TP53KDR
SCHEMBL2412552 0.86 JAK2 (0.48) NPC1RAB9AMAPTTP53POLB
SCHEMBL2411453 0.86 KDR (0.51) NPC1RAB9ARXFP1TP53KDR
SCHEMBL2417552 0.85 MAPT (0.49) NPC1RAB9AMAPTTP53GRM5

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 2089/4885RXFP1 4678/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 NPC1 3758/4885RAB9A 2089/4885RXFP1 4678/4885

“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.