SCHEMBL20672115

SCHEMBL20672115

CC(C)(C)Cc1ccc(C(=O)NCc2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
MMP13 P45452 4/20 0.61
LMNA P02545 5/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
CYP3A4 P08684 5/20 0.59
MAPK14 Q16539 4/20 0.59
HTT P42858 2/20 0.59
MMP2 P08253 1/20 0.59
STAT3 P40763 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CA2 P00918 1/20 0.58
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL12042426 0.85 LMNA (0.72) MMP13LMNAL3MBTL1HTTALDH1A1
SCHEMBL20672116 0.84 LMNA (0.54) GAALMNAL3MBTL1HTTALDH1A1
SCHEMBL12058757 0.83 LMNA (0.69) GAAMMP13LMNAL3MBTL1SMN1; SMN2
SCHEMBL1569157 0.82 L3MBTL1 (0.77) GAAMMP13LMNAL3MBTL1SMN1; SMN2
SCHEMBL7848467 0.82 EPHX2 (0.70) LMNAL3MBTL1HTTALDH1A1MEN1
SCHEMBL11628868 0.81 CA2 (0.68) GAAMMP13LMNAL3MBTL1SMN1; SMN2
SCHEMBL171661 0.81 SMN1; SMN2 (0.83) GAAMMP13LMNAL3MBTL1SMN1; SMN2
SCHEMBL30828595 0.81 MMP13 (0.88) GAAMMP13LMNAL3MBTL1SMN1; SMN2
Tert-Butylamine SCHEMBL27931811 0.81 L3MBTL1 (0.66) GAAMMP13LMNAL3MBTL1SMN1; SMN2
SCHEMBL18674106 0.81 KDM4E (0.67) GAALMNAL3MBTL1SMN1; SMN2HTT

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-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 GAA 553/4885MMP13 211/4885LMNA 4544/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 GAA 553/4885MMP13 211/4885LMNA 4544/4885

“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.