SCHEMBL18618874

SCHEMBL18618874

Nc1cc(Cc2ccc(OC(F)(F)F)cc2)c2nn[nH]c2n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 14/20 0.63
▸ SCN9A Q15858 1/20 0.43
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ SLC6A4 P31645 1/20 0.39
▸ MBOAT4 Q96T53 1/20 0.39
▸ TPO P07202 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ EPX P11678 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
SCHEMBL18620068 0.87 MPO (0.65) MPOTPOCYP3A4EPX
SCHEMBL20515411 0.84 MPO (0.60) MPOCYP11B1CYP11B2TPOCYP3A4
SCHEMBL20515410 0.82 MPO (0.58) MPOTPOCYP3A4EPX
SCHEMBL18585050 0.81 RHEB (0.44) MPOSCN9ASLC6A4MBOAT4
SCHEMBL19282278 0.81 SCN9A (0.54) MPOSCN9ATPOEPX
SCHEMBL20515418 0.80 MPO (0.44) MPOTPOCYP3A4EPX
SCHEMBL18586508 0.79 MPO (0.56) MPOTPOCYP3A4EPX
SCHEMBL18617439 0.79 MPO (0.56) MPOTPOCYP3A4EPX
SCHEMBL18584868 0.79 RHEB (0.42) MPOSCN9ASLC6A4
SCHEMBL18585533 0.78 MPO (0.45) 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 2/4885SCN9A 1367/4885CYP11B1 482/4885

“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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