SCHEMBL18586419

SCHEMBL18586419

Nc1cc(Cn2cc(-c3ccccc3)nn2)c2nn[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.48
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ROCK2 O75116 5/20 0.43
▸ GSK3B P49841 5/20 0.43
▸ AURKB Q96GD4 4/20 0.43
▸ PRKACA P17612 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ AURKA O14965 2/20 0.43
▸ CHUK O15111 2/20 0.43
▸ MAPK13 O15264 2/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ CHEK2 O96017 2/20 0.43
▸ PRKCG P05129 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ MARK3 P27448 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ AKT1 P31749 2/20 0.43

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
SCHEMBL18586245 0.80 SMN1; SMN2 (0.35) NPC1RAB9ACDK2CSNK2A1MPO
SCHEMBL18585837 0.78 RAB9A (0.48) NPC1RAB9ACASP3SENP8HDAC6
SCHEMBL18586014 0.78 MPO (0.67) CYP19A1NPC1RAB9AROCK2GSK3B
SCHEMBL18616503 0.77 CYP19A1 (0.50) CYP19A1NPC1RAB9AROCK2GSK3B
SCHEMBL20515423 0.73 MPO (0.60) MPO
SCHEMBL18616533 0.73 MPO (0.49) MPO
SCHEMBL18616410 0.73 NOTUM (0.46) NPC1RAB9AMAPK1MPOMEN1
SCHEMBL18617587 0.72 MPO (0.58) MPO
SCHEMBL18586508 0.72 MPO (0.56) MPO
SCHEMBL18617439 0.72 MPO (0.56) 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 6 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
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 CYP19A1 1550/4885NPC1 3415/4885RAB9A 3993/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CYP19A1 1550/4885NPC1 3415/4885RAB9A 3993/4885

“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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