SCHEMBL20515411

SCHEMBL20515411

COc1ccc(Cc2cc(N)nc3[nH]nnc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 9/20 0.60
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NCF1 P14598 1/20 0.39
▸ COMT P21964 1/20 0.39
▸ TPO P07202 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ EPX P11678 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL19381116 0.86 DHFR (0.50) MPOLTA4H
SCHEMBL20515418 0.85 MPO (0.44) MPOTPOCYP3A4EPX
SCHEMBL18617315 0.85 MPO (0.50) MPO
SCHEMBL18618874 0.84 MPO (0.63) MPOTPOCYP3A4EPXCYP11B1
SCHEMBL18586411 0.84 MPO (0.50) MPOALDH1A1LMNA
SCHEMBL20515410 0.83 MPO (0.58) MPOTPOCYP3A4EPX
SCHEMBL18586508 0.82 MPO (0.56) MPOTPOCYP3A4EPX
SCHEMBL18617439 0.82 MPO (0.56) MPOTPOCYP3A4EPX
SCHEMBL18620657 0.81 MPO (0.67) MPOALDH1A1LMNALTA4H
SCHEMBL20515423 0.81 MPO (0.60) MPOTPOCYP3A4EPX

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 1 patent. 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

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 83/4885CYP2D6 166/4885

“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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