SCHEMBL1976259

SCHEMBL1976259

CC1(C)OCC(c2ccc3cccc(Br)c3n2)O1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
AR P10275 1/20 0.34
HCRTR2 O43614 3/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL15383829 0.79 HCRTR2 (0.32) HCRTR2HCRTR1
SCHEMBL16129976 0.79 HCRTR2 (0.32) HCRTR2HCRTR1
SCHEMBL805860 0.73
SCHEMBL30784195 0.70 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL21957937 0.70 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL31538129 0.70 ALDH1A1 (0.34) HCRTR2HCRTR1
SCHEMBL15309131 0.69 LTA4H (0.32)
SCHEMBL2939462 0.69 HTR1A (0.35) HCRTR2HCRTR1
SCHEMBL16129978 0.69 MAPT (0.53) AR
SCHEMBL805863 0.69 MAPT (0.53) AR

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
US-8895550-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-25 US disclosed
US-20140045835-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-02-13 US disclosed
US-8557809-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-10-15 US disclosed
US-20110144100-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 US disclosed
WO-2010022081-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-25 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 (2 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-20140045835-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 BACE1 4088/4885AR 3323/4885HCRTR2 4289/4885
US-20110144100-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM3, PIM2 BACE1 3846/4885AR 2330/4885HCRTR2 3505/4885

“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.