SCHEMBL19226500

SCHEMBL19226500

CC(C)c1ccc(C(=O)N(C)Cc2ccc3ncccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 7/20 0.58
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ PDK2 Q15119 2/20 0.46
▸ PDK3 Q15120 2/20 0.46
▸ PDK4 Q16654 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ JAK1 P23458 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ AGTR2 P50052 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
SCHEMBL17888451 0.87 PDK1 (0.61) PDK1POLBHPGDRECQLHTT
SCHEMBL17886754 0.84 PDK1 (0.58) PDK1POLBHPGDRECQLHTT
SCHEMBL21214419 0.81 PDK1 (0.55) PDK1POLBHPGDRECQLHTT
SCHEMBL18711465 0.79 USP30 (0.53) PDK1POLBHTTUSP30ALDH1A1
SCHEMBL23930126 0.79 PDK1 (0.56) PDK1POLBHTTUSP30ALDH1A1
SCHEMBL13491325 0.76 PLK1 (0.57) HTTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL18701602 0.76 USP30 (0.51) PDK1POLBHTTUSP30ALDH1A1
SCHEMBL19226621 0.76 ACACB (0.59) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL18583568 0.74 ALDH1A1 (0.51) PDK1POLBHTTUSP30ALDH1A1
SCHEMBL16591956 0.74 PDK1 (1.00) PDK1PDK2PDK3PDK4HSP90AA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — 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 (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-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 PDK1 476/4885POLB 2553/4885HPGD 994/4885

“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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