SCHEMBL4773544

SCHEMBL4773544

CNc1nc(Cl)ncc1C#N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
PIN1 Q13526 3/20 0.44
IDH1 O75874 1/20 0.40
LRRK2 Q5S007 5/20 0.38
XDH P47989 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CHUK O15111 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE2A O00408 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37
AURKA O14965 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SRC P12931 2/20 0.36
PGK1 P00558 1/20 0.36

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
SCHEMBL4766397 0.82 CSNK1A1 (0.51) CSNK1A1CLK4PIN1LRRK2KDM4E
SCHEMBL4765894 0.81 CSNK1A1 (0.50) CSNK1A1CLK4PIN1LRRK2KDM4E
SCHEMBL21596303 0.81 CSNK1A1 (0.50) CSNK1A1CLK4PIN1IDH1LRRK2
SCHEMBL30379868 0.81 CSNK1A1 (0.50) CSNK1A1CLK4PIN1IDH1LRRK2
SCHEMBL4770518 0.78 CSNK1A1 (0.47) CSNK1A1CLK4PIN1LRRK2AURKA
SCHEMBL4768126 0.77 CNR1 (0.46) CSNK1A1CLK4PIN1LRRK2KDM4E
SCHEMBL3150451 0.76 KMT2A (0.51) CSNK1A1CLK4PIN1LRRK2CHUK
SCHEMBL30588543 0.76 CSNK1A1 (0.34) CSNK1A1CLK4PIN1XDHPDE2A
SCHEMBL26125436 0.76 CSNK1A1 (0.34) CSNK1A1CLK4PIN1XDHPDE2A
SCHEMBL4768640 0.76 POLB (0.49) CSNK1A1CLK4PIN1LRRK2KDM4E

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 EP disclosed
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 EP disclosed
EP-2844652-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-03-13 EP disclosed
EP-2844652-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-03-13 EP disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 US disclosed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US disclosed
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 US disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 EP disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US disclosed
WO-2003032994-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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 (3 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 CSNK1A1 2034/4885CLK4 4753/4885PIN1 1896/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 CSNK1A1 2453/4885CLK4 4758/4885PIN1 648/4885
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 CSNK1A1 2158/4885CLK4 412/4885PIN1 2195/4885

“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.