SCHEMBL18620095

SCHEMBL18620095

Nc1cc(Cc2cccc(Cl)c2F)c2nn[nH]c2n1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 17/20 0.62
▸ CD38 P28907 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL20515419 0.88 MPO (0.60) MPO
SCHEMBL18621241 0.87 MPO (0.59) MPO
SCHEMBL18621240 0.85 MPO (0.62) MPO
SCHEMBL18620354 0.82 MPO (0.59) MPO
SCHEMBL18620300 0.82 MPO (0.63) MPOCD38
SCHEMBL18620353 0.80 MPO (0.62) MPO
SCHEMBL18620069 0.80 MPO (0.59) MPO
SCHEMBL20515409 0.78 MPO (0.60) MPO
SCHEMBL18618941 0.78 MPO (0.60) MPO
SCHEMBL18618935 0.76 MPO (0.60) 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 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 2/4885CD38 1293/4885AKR1B1 1223/4885

“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