SCHEMBL18618864

SCHEMBL18618864

Nc1cc(Cc2cccc(OCc3ccccc3)c2)c(/N=N/c2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.52
▸ MPO P05164 1/20 0.52
▸ NR4A2 P43354 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.40
▸ DPYD Q12882 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
SCHEMBL20515400 1.00 DHFR (0.52) DHFRMPONR4A2MEN1KMT2A
SCHEMBL19380925 0.87 DHFR (0.48) DHFRMPOMEN1KMT2AMAPK1
SCHEMBL18618863 0.86 DHFR (0.53) DHFRMPOMEN1KMT2AMAPK1
SCHEMBL20672109 0.86 MAPT (0.44) MPOMEN1KMT2AMAPK1HTT
SCHEMBL20515396 0.84 MPO (0.47) DHFRMPOMEN1KMT2AMAPK1
SCHEMBL18618821 0.84 MPO (0.47) DHFRMPOMEN1KMT2AMAPK1
SCHEMBL17596066 0.81 MPO (0.46) DHFRMPOMEN1KMT2AMAPK1
SCHEMBL17596065 0.81 MPO (0.46) DHFRMPOMEN1KMT2AMAPK1
SCHEMBL18586036 0.81 MAPT (0.45) DHFRMPONR4A2KMT2A
SCHEMBL18586035 0.81 MAPT (0.45) DHFRMPONR4A2KMT2A

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-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-10-04 — — US disclosed
WO-2017040451-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — 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-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 DHFR 1044/4885MPO 2/4885NR4A2 2931/4885

“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.

Send feedback