SCHEMBL13739749

SCHEMBL13739749

Cc1ccc2ccc(Br)c(OC(C)C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
RAB9A P51151 1/20 0.47
CCR5 P51681 1/20 0.47
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
METAP2 P50579 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MCHR1 Q99705 1/20 0.35
PARP1 P09874 1/20 0.33
NQO2 P16083 1/20 0.33
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
GLO1 Q04760 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
SLC5A2 P31639 1/20 0.30

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
SCHEMBL13737587 0.80 RAB9A (0.52) CCR1RAB9ACCR5KDM4ELMNA
SCHEMBL13738382 0.76 CCR1 (0.47) CCR1RAB9ACCR5KDM4ELMNA
SCHEMBL13739159 0.76 CCR1 (0.42) CCR1RAB9ACCR5LMNAMETAP2
SCHEMBL38651472 0.74 CLK1 (0.40) MCHR1
SCHEMBL31574157 0.74 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL1840667 0.74 MEN1 (0.36) CCR1RAB9ACCR5KDM4ELMNA
SCHEMBL1966328 0.73 CCR1 (0.44) CCR1RAB9ACCR5KDM4ELMNA
SCHEMBL13271292 0.72 CCR1 (0.38) CCR1RAB9ACCR5KDM4ELMNA
SCHEMBL13313385 0.72 CCR1 (0.38) CCR1RAB9ACCR5KDM4EHTT
SCHEMBL13738619 0.71 CCR1 (0.50) CCR1RAB9ACCR5METAP2MEN1

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 5 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
EP-2678329-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-01 EP disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 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-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 CCR1 3163/4885RAB9A 3116/4885CCR5 2747/4885

“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.