SCHEMBL18621241

SCHEMBL18621241

Nc1cc(Cc2ccccc2Cl)c2nn[nH]c2n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 11/20 0.59
▸ PNP P00491 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ADCY10 Q96PN6 1/20 0.38
▸ TPO P07202 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ EPX P11678 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ AR P10275 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 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
SCHEMBL18620095 0.87 MPO (0.62) MPO
SCHEMBL18620354 0.84 MPO (0.59) MPOTPOCYP3A4EPX
SCHEMBL18586508 0.82 MPO (0.56) MPOTPOCYP3A4EPX
SCHEMBL18617439 0.82 MPO (0.56) MPOTPOCYP3A4EPX
SCHEMBL18585595 0.81 MPO (0.53) MPOTPOCYP3A4EPX
SCHEMBL19282236 0.81 KMT2A (0.51) MPOMEN1KMT2ATPOEPX
SCHEMBL18621531 0.80 MPO (0.62) MPOCYP3A4
SCHEMBL18618941 0.79 MPO (0.60) MPOPNPMEN1KMT2AADCY10
SCHEMBL18620353 0.79 MPO (0.62) MPO
SCHEMBL20515419 0.79 MPO (0.60) MPOTPOEPXADORA2AADORA1

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 2/4885PNP 227/4885MEN1 4641/4885

“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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