SCHEMBL18586245

SCHEMBL18586245

Nc1cc(Cn2ncc(-c3ccccc3)n2)c2nn[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ MPO P05164 10/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TPO P07202 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

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
SCHEMBL18585837 0.81 RAB9A (0.48) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL18586419 0.80 CYP19A1 (0.48) MPOCDK2MEN1KMT2ANPC1
SCHEMBL20515423 0.73 MPO (0.60) MPOTPOCYP3A4KLKB1
SCHEMBL18616533 0.73 MPO (0.49) MPOTPOCYP3A4KLKB1
SCHEMBL18585766 0.73 MPO (0.33) MPO
SCHEMBL18616410 0.73 NOTUM (0.46) SMN1; SMN2MPOMEN1LMNAMAPT
SCHEMBL18617587 0.72 MPO (0.58) ADORA2AADORA1MPOTPOCYP3A4
SCHEMBL18586508 0.72 MPO (0.56) MPOTPOCYP3A4
SCHEMBL18617439 0.72 MPO (0.56) MPOTPOCYP3A4
SCHEMBL18617435 0.72 ADORA2A (0.38) SMN1; SMN2ADORA2AADORA1MPOCHEK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
WO-2017040449-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 (2 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 SMN1; SMN2 4661/4885ADORA2A 3043/4885ADORA1 2178/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 SMN1; SMN2 4661/4885ADORA2A 3043/4885ADORA1 2178/4885

“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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