SCHEMBL1767524

SCHEMBL1767524

Cc1cnc(Cc2cnccc2C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
SIRT3 Q9NTG7 1/20 0.46
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
CD38 P28907 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
KDM4C Q9H3R0 4/20 0.35
PIK3CB P42338 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL5791960 0.83 PARP1 (0.38) TSHRCD38CYP3A4HSD17B10MEN1
SCHEMBL1767492 0.78 SIRT3 (0.44) TDP1SIRT3TSHRCD38MKNK1
SCHEMBL1767461 0.76 TDP1 (0.41) TDP1SIRT3TSHRMKNK1MKNK2
SCHEMBL8594489 0.75 TDP1 (0.56) TDP1SIRT3MKNK1MKNK2KDM4C
SCHEMBL1767585 0.75 TDP1 (0.40) TDP1SIRT3ADORA3TSHRMC4R
SCHEMBL17909750 0.75 GRM2 (0.42) TDP1SIRT3CD38MKNK1MKNK2
SCHEMBL18421593 0.72 TDP1 (0.52) TDP1SIRT3ADORA3TSHRMC4R
SCHEMBL1569204 0.72 CDC7 (0.51) TDP1SIRT3MKNK2CYP11B2CYP11B1
SCHEMBL30990566 0.71 TDP1 (0.51) TDP1SIRT3MKNK1MKNK2CYP1A2
SCHEMBL28038877 0.71 TDP1 (0.51) TDP1SIRT3MKNK1MKNK2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TDP1 2329/4885SIRT3 190/4885ADORA3 3071/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TDP1 2329/4885SIRT3 190/4885ADORA3 3071/4885

“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.