SCHEMBL3116064

SCHEMBL3116064

CSCc1cn(CCc2ccccn2)nn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLS O94925 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HRH1 P35367 1/20 0.40
HDAC1 Q13547 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NPC1 O15118 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL3107176 0.85 HDAC1 (0.50) L3MBTL1GAALMNAALDH1A1MAPT
SCHEMBL3229137 0.82 CYP19A1 (0.57) HSD17B10GLSHRH3HDAC1
SCHEMBL951074 0.76
SCHEMBL30530922 0.76
SCHEMBL3113598 0.75 MAOB (0.38) HRH3TSHRALDH1A1RAB9AHRH4
SCHEMBL6002402 0.74 NPC1 (0.52) L3MBTL1RAB9AHDAC1NPC1
SCHEMBL27679733 0.74 ALDH1A1 (0.53) L3MBTL1HRH3LMNATSHRALDH1A1
SCHEMBL3115461 0.72 GBA1 (0.58) HRH3RAB9AHRH4NPC1
SCHEMBL951055 0.69 HRH1 (0.55) HRH3LMNAALDH1A1RAB9AHRH1
SCHEMBL3101190 0.69 NPC1 (0.52) RAB9AHRH4NPC1

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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 (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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 HSD17B10 1406/4885L3MBTL1 1781/4885GLS 2923/4885

“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.