SCHEMBL18586830

SCHEMBL18586830

Nc1cc(Cc2cccc3c2ccn3Cc2cccc(OCc3ccccc3)c2)c2nn[nH]c2n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 10/20 0.72
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ DHFR P00374 1/20 0.38
▸ TPO P07202 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ BCHE P06276 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAOB P27338 1/20 0.34

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
SCHEMBL18586841 0.90 MPO (0.68) MPOTPOCYP3A4SLC2A1
SCHEMBL18586833 0.88 MPO (0.70) MPOTPOCYP3A4SLC2A1
SCHEMBL18620076 0.87 MPO (0.70) MPOTPOCYP3A4SLC2A1
SCHEMBL18586902 0.84 MPO (0.70) MPOALDH1A1LMNASMN1; SMN2SLC2A1
SCHEMBL18620556 0.83 MPO (0.65) MPOALDH1A1LMNASMN1; SMN2DHFR
SCHEMBL18586551 0.79 MPO (0.66) MPOTPOCYP3A4
SCHEMBL9064855 0.79 MPO (0.59) MPOALDH1A1LMNASMN1; SMN2DHFR
SCHEMBL18618063 0.79 MPO (0.52) MPOALDH1A1LMNASMN1; SMN2DHFR
SCHEMBL20658801 0.76 MPO (0.52) MPOALDH1A1LMNASMN1; SMN2DHFR
SCHEMBL20481845 0.75 MPO (0.52) MPOALDH1A1LMNASMN1; SMN2DHFR

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 3 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
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 MPO 2/4885ALDH1A1 83/4885LMNA 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.

Send feedback