SCHEMBL13738005

SCHEMBL13738005

Cc1ccc2cccc(CC#N)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.49
CCR1 P32246 1/20 0.47
RAB9A P51151 1/20 0.47
CCR5 P51681 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PARP1 P09874 1/20 0.42
GLO1 Q04760 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CD38 P28907 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
BDKRB2 P30411 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
AGTR1 P30556 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
SCHEMBL9909149 0.78 METAP2 (0.55) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL13738201 0.77 METAP2 (0.53) METAP2CCR1RAB9ACCR5KDM4E
SCHEMBL12349895 0.77 METAP2 (0.58) METAP2CCR1RAB9ACCR5KDM4E
SCHEMBL28461774 0.77 METAP2 (0.53) METAP2CCR1RAB9ACCR5KDM4E
SCHEMBL31325734 0.75 MMP2 (0.48) METAP2CCR1CCR5KDM4EALDH1A1
SCHEMBL13737550 0.74 METAP2 (0.50) METAP2CCR1RAB9ACCR5KDM4E
SCHEMBL2115749 0.73 CCR1 (0.64) METAP2CCR1RAB9ACCR5KDM4E
SCHEMBL3971295 0.73 METAP2 (0.53) METAP2CCR1RAB9ACCR5KDM4E
SCHEMBL28380698 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19631302 0.72 METAP2 (0.49) METAP2CCR1RAB9ACCR5PARP1

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 METAP2 3197/4885CCR1 3163/4885RAB9A 3116/4885

“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.