SCHEMBL18617299

SCHEMBL18617299

Nc1cc(Cn2nnc3ccccc32)cc(N)n1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.66
▸ SLC9A1 P19634 3/20 0.66
▸ TDP1 Q9NUW8 1/20 0.60
▸ PTK2 Q05397 5/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KCNMA1 Q12791 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL24460754 0.86 GRM2 (0.68) GRM2SLC9A1TDP1PTK2ALDH1A1
SCHEMBL28345673 0.81 GRM2 (0.75) GRM2SLC9A1TDP1PTK2ALDH1A1
SCHEMBL2734889 0.80 GRM2 (1.00) GRM2SLC9A1TDP1PTK2ALDH1A1
SCHEMBL18617433 0.80 ALDH1A1 (0.55) GRM2SLC9A1TDP1PTK2ALDH1A1
SCHEMBL24051506 0.79 SLC9A1 (0.68) GRM2SLC9A1TDP1PTK2KCNMA1
SCHEMBL30368818 0.78 GAA (0.66) GRM2SLC9A1TDP1PTK2ALDH1A1
SCHEMBL9305191 0.78 GAA (0.66) GRM2SLC9A1TDP1PTK2ALDH1A1
SCHEMBL20658815 0.76 GRM2 (0.57) GRM2SLC9A1TDP1PTK2ALDH1A1
SCHEMBL22000732 0.74 GRM2 (0.75) GRM2SLC9A1TDP1PTK2LMNA
SCHEMBL7597659 0.74 GRM2 (0.75) GRM2SLC9A1TDP1PTK2

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 GRM2 3309/4885SLC9A1 1353/4885TDP1 790/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 GRM2 3309/4885SLC9A1 1353/4885TDP1 790/4885

“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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