SCHEMBL17596278

SCHEMBL17596278

Cc1nn(Cc2ccccc2)nc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
GAA P10253 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CASP3 P42574 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL201295 0.71 LMNA (0.51) KDM4ETSHRCYP3A4ALDH1A1LMNA
SCHEMBL15555194 0.71 HDAC1 (0.56) CYP19A1GAAPOLBMEN1KMT2A
SCHEMBL2163465 0.70 POLB (0.76) GAAPOLBKDM4EMEN1KMT2A
SCHEMBL17596318 0.69 CYP19A1 (0.61) CYP19A1POLBRAB9ATSHRNPC1
SCHEMBL14858167 0.69 POLB (0.50) GAAPOLBKDM4EMEN1KMT2A
SCHEMBL9304768 0.69 CYP19A1 (0.58) CYP19A1GAAKDM4EMEN1KMT2A
SCHEMBL19209438 0.68 GAA (0.52) CYP19A1GAAPOLBKDM4EMEN1
SCHEMBL11548099 0.68 GAA (0.67) GAAPOLBKDM4EMEN1KMT2A
SCHEMBL1801035 0.68 GAA (0.53) GAAPOLBKDM4EMEN1KMT2A
SCHEMBL20798455 0.68 PTGDR2 (0.45) POLBKDM4EMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 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 (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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CYP19A1 1520/4885GAA 980/4885POLB 941/4885

“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.