SCHEMBL17888293

SCHEMBL17888293

Cc1ccc(C(=O)NCc2cncc(C)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.60
MMP13 P45452 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPK14 Q16539 2/20 0.57
MMP2 P08253 1/20 0.57
STAT3 P40763 1/20 0.57
PIK3CA P42336 1/20 0.56
NAMPT P43490 1/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 3/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
KMT2A Q03164 3/20 0.52

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
SCHEMBL21077975 0.90 PIK3CA (0.53) HDAC1MMP13SMN1; SMN2HTTCYP3A4
SCHEMBL19226518 0.89 LMNA (0.66) HTTNAMPTALDH1A1MAPTLMNA
SCHEMBL19226517 0.88 SMN1; SMN2 (0.59) HDAC1MMP13SMN1; SMN2HTTCYP3A4
SCHEMBL21214344 0.85 PIK3CA (0.48) HDAC1MMP13SMN1; SMN2HTTCYP3A4
SCHEMBL27220658 0.83 EPHX2 (0.61) MMP13SMN1; SMN2HTTCYP3A4MAPK14
SCHEMBL29437161 0.81 MMP13 (0.85) MMP13SMN1; SMN2HTTNAMPTALDH1A1
SCHEMBL13102334 0.81 MMP13 (0.85) MMP13SMN1; SMN2HTTNAMPTALDH1A1
SCHEMBL13932522 0.80 ALDH1A1 (0.78) HDAC1MMP13SMN1; SMN2HTTCYP3A4
SCHEMBL171661 0.80 SMN1; SMN2 (0.83) MMP13SMN1; SMN2HTTCYP3A4MAPK14
SCHEMBL13632447 0.79 CYP2C9 (0.50) HDAC1PIK3CANAMPTALDH1A1MAPT

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-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 HDAC1 1677/4885MMP13 3952/4885SMN1; SMN2 3249/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HDAC1 1677/4885MMP13 3952/4885SMN1; SMN2 3249/4885

“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.