SCHEMBL2419136

SCHEMBL2419136

Cc1cccc(C(=O)Nc2n[nH]c3sc(C(=O)Nc4ccc(C#N)cc4)cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.46
GPR17 Q13304 1/20 0.46
GRM5 P41594 1/20 0.46
LRRK2 Q5S007 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
NT5E P21589 1/20 0.44
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2419957 0.90 NPC1 (0.50) NPC1RAB9ATP53NT5EKCNK3
SCHEMBL2412370 0.90 ITK (0.47) LRRK2NPC1RAB9AMEN1KMT2A
SCHEMBL2417626 0.89 LRRK2 (0.51) LRRK2NPC1RAB9AMEN1KMT2A
SCHEMBL2416219 0.88 KCNK3 (0.53) NPC1RAB9ATP53NT5EKCNK3
SCHEMBL2417026 0.88 KMT2A (0.48) GRM5NPC1RAB9ATP53NT5E
SCHEMBL2417259 0.88 KCNK3 (0.52) GPR17NPC1RAB9ATP53NT5E
SCHEMBL2417393 0.86 KCNK3 (0.53) NPC1RAB9ATP53NT5EKCNK3
SCHEMBL2979986 0.85 CTNNB1 (0.46) LRRK2TP53KCNH2LMNASMN1; SMN2
SCHEMBL2411619 0.85 NR1H4 (0.45) LRRK2NPC1RAB9ATP53MEN1
SCHEMBL2414062 0.84 LRRK2 (0.46) LRRK2NPC1RAB9AMEN1KMT2A

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-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 P2RY2 1914/4885GPR17 2411/4885GRM5 2946/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 P2RY2 1914/4885GPR17 2411/4885GRM5 2946/4885

“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.