SCHEMBL10232178

SCHEMBL10232178

Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.63
CCRL2 O00421 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CCR5 P51681 2/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
SLC6A5 Q9Y345 2/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
CHRM2 P08172 4/20 0.33
ITK Q08881 1/20 0.33
MAPK10 P53779 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL10232269 0.97 CCR2 (0.67) CCR2CCRL2ALDH1A1HPGDCCR5
SCHEMBL13346960 0.94 CCR2 (0.62) CCR2CCRL2ALDH1A1HPGDCCR5
SCHEMBL10232204 0.91 CCR2 (0.58) CCR2CCRL2ALDH1A1HPGDCCR5
SCHEMBL10232065 0.90 CCR2 (0.77) CCR2CCRL2ALDH1A1HPGDCCR5
SCHEMBL13346807 0.90 CCR2 (0.59) CCR2CCRL2ALDH1A1CCR5SCN5A
SCHEMBL14998868 0.89 CCR2 (0.56) CCR2CCRL2ALDH1A1HPGDCCR5
SCHEMBL10178558 0.89 CCR2 (0.72) CCR2CCRL2CCR5L3MBTL3L3MBTL1
SCHEMBL10229972 0.88 CCR2 (0.54) CCR2ALDH1A1HPGDSCN5ASCN2A
SCHEMBL10230562 0.88 CCR2 (0.61) CCR2CCRL2ALDH1A1HPGDCCR5
SCHEMBL14998857 0.88 CCR2 (0.55) CCR2CCRL2ALDH1A1HPGDCCR5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379525-B1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 CCR2 1/4885CCRL2 8/4885ALDH1A1 1071/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 CCR2 1/4885CCRL2 4/4885ALDH1A1 1952/4885

“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.