SCHEMBL1419503

SCHEMBL1419503

CCCC(NC(=O)OC(C)(C)C)c1cncc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSS P25774 2/20 0.38
AAK1 Q2M2I8 3/20 0.38
FPR2 P25090 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL31226229 0.90 CYP1A2 (0.41) CTSKCYP1A2CYP3A4CYP2C19CTSS
SCHEMBL31226854 0.88 AAK1 (0.39) CTSKCYP1A2CYP3A4CYP2C19CTSS
SCHEMBL21459567 0.85 CASP3 (0.43) CTSKCYP1A2CYP3A4CYP2C19CTSS
SCHEMBL31226537 0.85 CTSK (0.41) CTSKCTSSTSHRALDH1A1MAPT
SCHEMBL21459569 0.85 CASP3 (0.43) CTSKCYP1A2CYP3A4CYP2C19CTSS
SCHEMBL31226519 0.85 CTSK (0.41) CTSKCTSSTSHRALDH1A1MAPT
SCHEMBL31226755 0.85 AAK1 (0.39) CTSKCYP1A2CYP3A4CYP2C19CTSS
SCHEMBL21459359 0.84 HTT (0.40) CTSKCYP1A2CYP3A4CYP2C19CTSS
SCHEMBL21459629 0.84 HTT (0.40) CTSKCYP1A2CYP3A4CYP2C19CTSS
SCHEMBL21459521 0.84 HTT (0.40) CTSKCYP1A2CYP3A4CYP2C19CTSS

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
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
EP-2297112-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2011-03-23 EP disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 WO disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 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 (1 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 CTSK 2560/4885CYP1A2 1068/4885CYP3A4 1100/4885

“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.