SCHEMBL18620076

SCHEMBL18620076

Nc1cc(Cc2cccc3c2ccn3Cc2cccc(-c3ccccc3)c2)c2nn[nH]c2n1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 17/20 0.70
▸ TPO P07202 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ SLC2A1 P11166 2/20 0.37

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 0.93 MPO (0.68) MPOTPOCYP3A4SLC2A1
SCHEMBL18586833 0.92 MPO (0.70) MPOTPOCYP3A4SLC2A1
SCHEMBL18586902 0.88 MPO (0.70) MPOSLC2A1
SCHEMBL18586830 0.87 MPO (0.72) MPOTPOCYP3A4SLC2A1
SCHEMBL18586551 0.83 MPO (0.66) MPOTPOCYP3A4CYP11B1
SCHEMBL18586829 0.81 MPO (0.61) MPOTPOCYP3A4
SCHEMBL18620072 0.80 MPO (0.66) MPOTPOCYP3A4CYP11B1CYP11B2
SCHEMBL18620071 0.80 MPO (0.67) MPOTPOCYP3A4CYP11B1CYP11B2
SCHEMBL18618871 0.77 MPO (0.68) MPOTPOCYP3A4
SCHEMBL18617517 0.77 MPO (0.56) MPOTPOCYP3A4

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 MPO 2/4885TPO 7/4885CYP3A4 178/4885

“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.

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