SCHEMBL22406586

SCHEMBL22406586

Nc1cc(/C(=C\c2ccccc2)c2ccccn2)cc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
PKM P14618 4/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP19A1 P11511 2/20 0.39
CYP11B2 P19099 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
IGF2R P11717 1/20 0.38

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
SCHEMBL19359205 1.00 NPC1 (0.47) NPC1RAB9APKMPOLBMAPT
SCHEMBL22406568 1.00 NPC1 (0.47) NPC1RAB9APKMPOLBMAPT
SCHEMBL2773353 0.82 CYP19A1 (0.56) NPC1RAB9APKMPOLBMAPT
SCHEMBL22406542 0.81 CYP19A1 (0.55) KMT2AALDH1A1CYP19A1CYP11B2TDP1
SCHEMBL19381112 0.81 CYP19A1 (0.55) KMT2AALDH1A1CYP19A1CYP11B2TDP1
SCHEMBL19359172 0.76 NPC1 (0.41) NPC1RAB9APKMPOLBMAPT
SCHEMBL19359169 0.76 NPC1 (0.41) NPC1RAB9APKMPOLBMAPT
SCHEMBL22406665 0.75 TDP1 (0.73) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL19380839 0.75 TDP1 (0.73) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL31574014 0.73 CYP19A1 (0.62) NPC1RAB9APKMPOLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 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-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 NPC1 1886/4885RAB9A 3247/4885PKM 890/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 NPC1 1886/4885RAB9A 3247/4885PKM 890/4885

“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.