SCHEMBL7979529

SCHEMBL7979529

CNC(=O)c1cn(C)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ADCY10 Q96PN6 2/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
BRAF P15056 1/20 0.41
BAZ2B Q9UIF8 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL27749280 0.85 LMNA (0.41) GAALMNAPOLBALDH1A1MAPT
SCHEMBL26425747 0.81 NPC1 (0.43) LMNAPOLBALDH1A1MAPTTSHR
SCHEMBL8568083 0.79 GAA (0.69) GAAPOLBBAZ2BALDH1A1MAPT
SCHEMBL16464463 0.79 GAA (0.44) GAAADCY10SMN1; SMN2
SCHEMBL6249101 0.79 ALKBH1 (0.41) GAALMNAPOLBALDH1A1MAPT
SCHEMBL27497366 0.79 ADORA2A (0.38) GAALMNAPOLBALDH1A1MAPT
SCHEMBL15307202 0.79 LMNA (0.41) GAALMNAPOLBBRD4ALDH1A1
SCHEMBL24567582 0.78 RAB9A (0.39) GAALMNAPOLBALDH1A1MAPT
SCHEMBL7977877 0.78 LMNA (0.57) LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL21117539 0.78 GAA (0.46) GAAADCY10LMNAPOLBBRAF

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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 (1 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 GAA 1904/4885ADCY10 2947/4885LMNA 4210/4885

“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.