SCHEMBL10232201

SCHEMBL10232201

CCOC(=O)c1ncnc(NCc2cccc(-c3ccccc3)c2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C19 P33261 3/20 0.53
GAA P10253 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
EED O75530 1/20 0.45
CYP19A1 P11511 1/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SLC26A6 Q9BXS9 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43

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
SCHEMBL10231981 0.89 NPSR1 (0.54) NPSR1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL10232324 0.88 NPSR1 (0.53) NPSR1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL10232215 0.86 KDM4C (0.48) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL10229684 0.79 KDM4C (0.48) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL10231602 0.78 KDM4C (0.47) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL10232330 0.78 CA1 (0.44) NPSR1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL14770752 0.73 MAPT (0.40) ALDH1A1MAPTEGFRERBB2KDM4E
SCHEMBL13472459 0.73 MAPT (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL13472457 0.72 MAPT (0.43) MAPTSLC26A6LMNA
SCHEMBL10232221 0.72 CCR2 (0.44) CYP1A2CYP3A4CYP2C19GAACYP2C9

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 7 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
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP 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-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
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 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 (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 NPSR1 246/4885CYP1A2 528/4885CYP3A4 1049/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 NPSR1 315/4885CYP1A2 386/4885CYP3A4 428/4885

“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.