SCHEMBL18586034

SCHEMBL18586034

Nc1cc(Cn2nnc3ccccc32)c2nn[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KCNMA1 Q12791 1/20 0.47
▸ SLC9A1 P19634 4/20 0.46
▸ GRM2 Q14416 2/20 0.45
▸ BRD4 O60885 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 1/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ AURKA O14965 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GSK3A P49840 1/20 0.39

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
SCHEMBL18616566 0.85 SLC9A1 (0.44) LMNAALDH1A1TP53HPGDTSHR
SCHEMBL18586233 0.85 SLC9A1 (0.44) LMNAALDH1A1TP53HPGDTSHR
SCHEMBL18586454 0.85 HCAR3 (0.39) LMNAALDH1A1TP53HPGDTSHR
SCHEMBL18585842 0.85 GRM2 (0.38) LMNAALDH1A1TP53HPGDTSHR
SCHEMBL20672132 0.83 GRM2 (0.43) LMNAALDH1A1TP53HPGDTSHR
SCHEMBL18586099 0.82 SLC9A1 (0.38) LMNAALDH1A1TP53HPGDTSHR
SCHEMBL18617433 0.77 ALDH1A1 (0.55) LMNAALDH1A1TP53HPGDTSHR
SCHEMBL18617299 0.74 GRM2 (0.66) LMNAALDH1A1TP53HPGDTSHR
SCHEMBL18585837 0.73 RAB9A (0.48) LMNAALDH1A1TSHRATM
SCHEMBL18586419 0.72 CYP19A1 (0.48) KMT2ARPS6KA3AURKACDK1PRKACA

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