SCHEMBL10231978

SCHEMBL10231978

CCOC(=O)c1ncnc(NCc2ccc(C(C)(C)C)cc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
LMNA P02545 2/20 0.41
PDE5A O76074 1/20 0.41
SLC26A6 Q9BXS9 1/20 0.40

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
SCHEMBL10232330 0.89 CA1 (0.44) CA1CA2NPSR1GAACYP1A2
SCHEMBL10231976 0.85 NR1H4 (0.46) CA1CA2EPHX2NR1H4LMNA
SCHEMBL10231970 0.84 KMT2A (0.49) CA1CA2NPSR1GAACYP1A2
SCHEMBL10231598 0.81 CCR2 (0.53) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL10178276 0.80 MAPT (0.43) GAACYP2C9CYP2C19EPHX2NR1H4
SCHEMBL10178251 0.79 MAPT (0.43) GAACYP2C9CYP2C19EPHX2NR1H4
SCHEMBL10230292 0.78 CCR2 (0.44) CA1CA2GAACYP1A2CYP2C9
SCHEMBL10232010 0.77 CCR2 (0.48) CA1CA2GAAKMT2AMEN1
SCHEMBL2087947 0.77 HTT (0.56) CA1CA2NPSR1MAPTALDH1A1
SCHEMBL10231981 0.76 NPSR1 (0.54) NPSR1GAACYP1A2CYP3A4CYP2C9

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 CA1 2885/4885CA2 469/4885NPSR1 246/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 CA1 3640/4885CA2 2059/4885NPSR1 315/4885

“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.