SCHEMBL15399418

SCHEMBL15399418

COC[C@@H](C)Oc1cc(F)cc2ccc(C=O)nc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.44
CCR1 P32246 1/20 0.38
DHFR P00374 2/20 0.35
DCPS Q96C86 2/20 0.35
MKNK2 Q9HBH9 4/20 0.34
GCK P35557 6/20 0.33
ABL1 P00519 2/20 0.33
RARG P13631 1/20 0.32
S1PR4 O95977 1/20 0.32
FGFR4 P22455 1/20 0.32

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
SCHEMBL15399419 1.00 MCHR1 (0.44) MCHR1CCR1DHFRDCPSMKNK2
SCHEMBL13738235 0.84 CCR1 (0.44) MCHR1CCR1MKNK2ABL1S1PR4
SCHEMBL15398843 0.84 MCHR1 (0.45) MCHR1CCR1DHFRDCPSMKNK2
SCHEMBL15398846 0.84 MCHR1 (0.45) MCHR1CCR1DHFRDCPSMKNK2
SCHEMBL15400314 0.83 MCHR1 (0.49) MCHR1CCR1DHFRDCPSMKNK2
SCHEMBL15400315 0.83 MCHR1 (0.49) MCHR1CCR1DHFRDCPSMKNK2
SCHEMBL13739010 0.82 MCHR1 (0.66) MCHR1CCR1DHFRDCPS
SCHEMBL13739009 0.82 MCHR1 (0.66) MCHR1CCR1DHFRDCPS
SCHEMBL13739948 0.80 CCR1 (0.48) CCR1
SCHEMBL13738060 0.80 CCR1 (0.40) CCR1S1PR4FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
US-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-01-02 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-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 MCHR1 1613/4885CCR1 3163/4885DHFR 2767/4885

“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.