SCHEMBL15033672

SCHEMBL15033672

COc1nc(Nc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(N3CCO[C@H]4COCC[C@H]43)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.53
CCR5 P51681 1/20 0.53
EPHA2 P29317 11/20 0.36
KDR P35968 11/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
LRRK2 Q5S007 2/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
EPHB4 P54760 4/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL15033674 1.00 CCR2 (0.53) CCR2CCR5EPHA2KDRJAK2
SCHEMBL15033681 0.91 CCR2 (0.52) CCR2CCR5EPHA2KDRJAK2
SCHEMBL14318481 0.89 CCR2 (0.50) CCR2CCR5EPHA2KDRJAK2
SCHEMBL14318471 0.89 CCR2 (0.50) CCR2CCR5EPHA2KDRJAK2
SCHEMBL15033734 0.88 CCR2 (0.63) CCR2CCR5EPHA2KDREPHB4
SCHEMBL15033680 0.86 CCR2 (0.40) CCR2CCR5EGFR
SCHEMBL15033671 0.86 CCR2 (0.40) CCR2CCR5EGFR
SCHEMBL16257554 0.81 CCR2 (0.63) CCR2CCR5EPHA2KDRLRRK2
SCHEMBL16257522 0.79 CCR2 (0.80) CCR2CCR5EPHA2KDRJAK2
SCHEMBL16257523 0.79 CCR2 (0.80) CCR2CCR5EPHA2KDRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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 (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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 CCR2 1/4885CCR5 6/4885EPHA2 854/4885

“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.