SCHEMBL18586902

SCHEMBL18586902

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 9/20 0.70
▸ SLC2A1 P11166 1/20 0.46
▸ HTR6 P50406 2/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ DBH P09172 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAOB P27338 1/20 0.36

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 0.91 MPO (0.68) MPOSLC2A1HTR6
SCHEMBL18586833 0.89 MPO (0.70) MPOSLC2A1HTR6
SCHEMBL18620076 0.88 MPO (0.70) MPOSLC2A1
SCHEMBL18586830 0.84 MPO (0.72) MPOSLC2A1ALDH1A1LMNASMN1; SMN2
SCHEMBL18586551 0.83 MPO (0.66) MPOCYP19A1
SCHEMBL20515409 0.81 MPO (0.60) MPO
SCHEMBL18618800 0.80 MPO (0.65) MPOSLC2A1HTR6CYP19A1EGFR
SCHEMBL18618797 0.79 MPO (0.67) MPOSLC2A1HTR6CYP19A1EGFR
SCHEMBL18620061 0.75 MPO (0.64) MPO
SCHEMBL18618871 0.74 MPO (0.68) MPO

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 2/4885SLC2A1 4686/4885HTR6 3077/4885

“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