SCHEMBL20658802

SCHEMBL20658802

[CH2]c1cnn(-c2ccccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.57
EGLN1 Q9GZT9 1/20 0.57
GRM4 Q14833 1/20 0.50
GRM5 P41594 1/20 0.48
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
MTOR P42345 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
PLD1 Q13393 1/20 0.37
POLB P06746 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
RAB9A P51151 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2159890 0.78 ALKBH2 (0.57) ALKBH2EGLN1GRM4GRM5DRD2
SCHEMBL3923413 0.78 ALKBH2 (0.57) ALKBH2EGLN1GRM4GRM5DRD2
SCHEMBL15671484 0.78 EGLN1 (0.57) ALKBH2EGLN1GRM4GRM5DRD2
SCHEMBL3149078 0.78 ALKBH2 (0.57) ALKBH2EGLN1GRM4GRM5DRD2
SCHEMBL5668701 0.78 ALKBH2 (0.57) ALKBH2EGLN1GRM4GRM5DRD2
SCHEMBL28012609 0.77 DRD2 (0.56) ALKBH2EGLN1GRM4GRM5DRD2
Bromide SCHEMBL6694084 0.76 ALKBH2 (0.55) ALKBH2EGLN1GRM4GRM5DRD2
SCHEMBL12075257 0.75 ALKBH2 (0.54) ALKBH2EGLN1GRM4GRM5DRD2
SCHEMBL23872054 0.74 ALKBH2 (0.53) ALKBH2EGLN1GRM4GRM5DRD2
SCHEMBL2413528 0.74 DRD2 (0.56) ALKBH2EGLN1GRM4GRM5DRD2

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 4 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 claimed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US claimed
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

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 ALKBH2 2702/4885EGLN1 880/4885GRM4 2747/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 ALKBH2 2702/4885EGLN1 880/4885GRM4 2747/4885

“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.