SCHEMBL22406435

SCHEMBL22406435

IC(=Cc1ccccn1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
RAB9A P51151 6/20 0.50
NPC1 O15118 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 1/20 0.43
NR4A1 P22736 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ASF1A Q9Y294 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 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
SCHEMBL19380825 1.00 TDP1 (0.67) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL14611861 0.80 TDP1 (0.71) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL11451952 0.80 TDP1 (1.00) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL7521932 0.80 TDP1 (0.71) TDP1RAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL11451936 0.78 TDP1 (0.96) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL25415051 0.77 TDP1 (0.67) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL18803863 0.74 TDP1 (0.62) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL28446415 0.72 TDP1 (0.50) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL1173481 0.72 TDP1 (0.59) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL1173484 0.72 TDP1 (0.59) TDP1RAB9ANPC1KMT2AMEN1

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 TDP1 676/4885RAB9A 3247/4885NPC1 1886/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 TDP1 676/4885RAB9A 3247/4885NPC1 1886/4885

“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.