SCHEMBL13737643

SCHEMBL13737643

CCOc1ccc2ccc(C)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CYP1A2 P05177 4/20 0.52
ALDH1A1 P00352 3/20 0.51
TSHR P16473 3/20 0.51
HSD17B10 Q99714 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
NCF1 P14598 2/20 0.50
NQO1 P15559 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CASP1 P29466 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 2/20 0.45
CYP3A4 P08684 1/20 0.45
SLC2A1 P11166 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL9694076 0.87 KDM4E (0.54) MAPTCYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL20909548 0.83 GPBAR1 (0.51) CYP1A2ALDH1A1TSHRHSD17B10NCF1
SCHEMBL13737763 0.81 NCF1 (0.51) CYP1A2ALDH1A1TSHRHSD17B10NCF1
SCHEMBL23452966 0.80 NCF1 (0.74) MAPTALDH1A1TSHRHSD17B10NCF1
SCHEMBL2320403 0.80 NCF1 (0.53) MAPTCYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL23283392 0.79 NCF1 (0.48) MAPTCYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL30081480 0.79 CYP1A2 (0.57) CYP1A2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL424930 0.79 CYP1A2 (0.57) CYP1A2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL13738186 0.78 PDE2A (0.48) CYP1A2RAB9A
SCHEMBL13738084 0.78 PDE2A (0.48) CYP1A2NCF1

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 MAPT 3558/4885CYP1A2 1360/4885ALDH1A1 2688/4885

“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.