SCHEMBL18616566

SCHEMBL18616566

Nc1cc(Cn2nnc3cc(Cl)ccc32)c2nn[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ GRM2 Q14416 6/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ KCNMA1 Q12791 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ MPO P05164 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
SCHEMBL18586233 0.91 SLC9A1 (0.44) SLC9A1TDP1GRM2KMT2AALDH1A1
SCHEMBL18586034 0.85 LMNA (0.48) SLC9A1TDP1LIMK1GRM2KMT2A
SCHEMBL18586454 0.82 HCAR3 (0.39) SLC9A1TDP1GRM2KMT2AHCAR3
SCHEMBL18586099 0.81 SLC9A1 (0.38) SLC9A1TDP1GRM2KMT2AALDH1A1
SCHEMBL20672132 0.80 GRM2 (0.43) SLC9A1GRM2KMT2AALDH1A1LMNA
SCHEMBL18585592 0.80 PIK3CG (0.34) CHEK1LIMK1MAPK14CLK4MPO
SCHEMBL18616567 0.77 SLC9A1 (0.45) SLC9A1TDP1CHEK1LIMK1MAPK14
SCHEMBL18585842 0.76 GRM2 (0.38) SLC9A1TDP1GRM2KMT2AALDH1A1
SCHEMBL18620353 0.72 MPO (0.62) MPO
SCHEMBL18585766 0.70 MPO (0.33) 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 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 SLC9A1 1353/4885TDP1 790/4885CHEK1 4807/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 SLC9A1 1353/4885TDP1 790/4885CHEK1 4807/4885

“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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