SCHEMBL18617433

SCHEMBL18617433

Nc1cc(Cn2nnc3ccccc32)c(N)c(N)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ KCNMA1 Q12791 1/20 0.54
▸ SLC9A1 P19634 6/20 0.52
▸ GRM2 Q14416 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.48
▸ ATM Q13315 1/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ PTK2 Q05397 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL18617299 0.80 GRM2 (0.66) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL18586034 0.77 LMNA (0.48) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL20658823 0.77 SLC9A1 (0.52) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL20658824 0.77 SLC9A1 (0.52) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL3552907 0.76 KCNMA1 (0.67) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL23299012 0.72 KCNMA1 (0.54) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL24460754 0.72 GRM2 (0.68) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL9302790 0.71 HPGD (1.00) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL9303187 0.70 KCNMA1 (0.67) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL28345673 0.70 GRM2 (0.75) ALDH1A1KCNMA1SLC9A1GRM2TDP1

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 ALDH1A1 83/4885LMNA 4544/4885TP53 4759/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 ALDH1A1 83/4885LMNA 4544/4885TP53 4759/4885

“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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