SCHEMBL18618933

SCHEMBL18618933

Nc1cc(Cc2ccc(C(=O)c3ccccc3)cc2)c2nn[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 13/20 0.64
▸ TPO P07202 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ EPX P11678 1/20 0.43
▸ ABL1 P00519 1/20 0.38
▸ FABP6 P51161 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ VNN1 O95497 1/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ DHFR P00374 1/20 0.35

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
SCHEMBL18618932 0.91 MPO (0.65) MPOTPOCYP3A4EPXABL1
SCHEMBL18617439 0.86 MPO (0.56) MPOTPOCYP3A4EPX
SCHEMBL18586508 0.86 MPO (0.56) MPOTPOCYP3A4EPX
SCHEMBL20515423 0.84 MPO (0.60) MPOTPOCYP3A4EPXKLKB1
SCHEMBL18620306 0.82 MPO (0.60) MPOTPOCYP3A4EPX
SCHEMBL18621239 0.79 MPO (0.60) MPOTPOCYP3A4EPX
SCHEMBL18586867 0.79 MPO (0.70) MPOHDAC6
SCHEMBL20515418 0.79 MPO (0.44) MPOTPOCYP3A4EPX
SCHEMBL20515410 0.79 MPO (0.58) MPOTPOCYP3A4EPX
SCHEMBL18620122 0.79 MPO (0.67) MPODHFR

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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