SCHEMBL17888451

SCHEMBL17888451

Cc1ccc(C(=O)N(C)Cc2ccc3ncccc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 7/20 0.61
▸ POLB P06746 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ PDK2 Q15119 2/20 0.50
▸ PDK3 Q15120 2/20 0.50
▸ PDK4 Q16654 2/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ USP30 Q70CQ3 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ SPR P35270 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ JAK1 P23458 1/20 0.46

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
SCHEMBL19226500 0.87 PDK1 (0.58) PDK1POLBRAB9APDK2PDK3
SCHEMBL17886754 0.87 PDK1 (0.58) PDK1POLBRAB9APDK2PDK3
SCHEMBL21214419 0.84 PDK1 (0.55) PDK1POLBRAB9APDK2PDK3
SCHEMBL23930126 0.82 PDK1 (0.56) PDK1POLBRAB9ANPC1ALDH1A1
SCHEMBL18711465 0.82 USP30 (0.53) PDK1POLBRAB9ANPC1ALDH1A1
SCHEMBL18701602 0.79 USP30 (0.51) PDK1POLBRAB9ANPC1ALDH1A1
SCHEMBL18583568 0.77 ALDH1A1 (0.51) PDK1POLBRAB9ANPC1ALDH1A1
SCHEMBL16591956 0.77 PDK1 (1.00) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL25560665 0.76 USP30 (0.48) PDK1POLBRAB9AHPGDRECQL
SCHEMBL30257434 0.76 USP30 (0.48) PDK1POLBRAB9AHPGDRECQL

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 — — EP disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — 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 (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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 PDK1 476/4885POLB 2553/4885RAB9A 3888/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 PDK1 476/4885POLB 2553/4885RAB9A 3888/4885

“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.

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