SCHEMBL2419014

SCHEMBL2419014

COc1ccc(NC(=O)c2cc3c(NC(=O)c4ccccc4Cl)n[nH]c3s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
BDKRB1 P46663 4/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
MT-CO2 P00403 1/20 0.48
TOP1 P11387 1/20 0.48
PTGS2 P35354 1/20 0.48
CLK1 P49759 1/20 0.48
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL2417788 0.90 RAB9A (0.60) RAB9AALDH1A1MAPTLMNANPC1
SCHEMBL2416366 0.90 MAPT (0.51) RAB9AALDH1A1MAPTTP53CLK1
SCHEMBL2418058 0.89 BDKRB1 (0.54) RAB9ABDKRB1ALDH1A1NPC1MEN1
SCHEMBL2421818 0.89 BDKRB1 (0.53) RAB9ABDKRB1ALDH1A1MAPTNPC1
SCHEMBL2418008 0.89 BDKRB1 (0.61) RAB9ABDKRB1MAPTNPC1MEN1
SCHEMBL2419036 0.89 TDP1 (0.52) RAB9AMAPTNPC1KDRMEN1
SCHEMBL2418490 0.87 BDKRB1 (0.52) RAB9ABDKRB1ALDH1A1MAPTLMNA
SCHEMBL2418809 0.86 RAB9A (0.57) RAB9ATP53NPC1MEN1KMT2A
SCHEMBL2417547 0.85 RAB9A (0.54) RAB9AALDH1A1MAPTLMNATP53
SCHEMBL2416359 0.85 MAPT (0.50) RAB9AALDH1A1MAPTTP53KDR

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 RAB9A 2089/4885BDKRB1 1439/4885ALDH1A1 2743/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 RAB9A 2089/4885BDKRB1 1439/4885ALDH1A1 2743/4885

“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.