SCHEMBL14134792

SCHEMBL14134792

CCc1ccc(N(C)CCN(CC)CC)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.43
AOC3 Q16853 2/20 0.42
HCAR3 P49019 1/20 0.42
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GBA1 P04062 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL14853401 0.81 HCAR3 (0.43) TLR7AOC3HCAR3KDM4EALDH1A1
SCHEMBL13185264 0.79 DGAT1 (0.43) AOC3HCAR3KDM4EPKM
SCHEMBL14123325 0.78 TRPV1 (0.43) TLR7AOC3HCAR3KDM4EPKM
SCHEMBL15474137 0.78 TRPV1 (0.41) TLR7AOC3HCAR3KDM4EALDH1A1
SCHEMBL11990167 0.76 HCAR3 (0.39) TLR7AOC3HCAR3KDM4EALDH1A1
SCHEMBL805514 0.76 KDM4E (0.43) AOC3KDM4EL3MBTL1HRH3SMN1; SMN2
SCHEMBL5024697 0.75 HRH3 (0.43) KDM4EALDH1A1L3MBTL1HRH3LMNA
SCHEMBL30175373 0.74 GBA1 (0.60) AOC3HCAR3KDM4EL3MBTL1HRH3
SCHEMBL8430068 0.74 GBA1 (0.60) AOC3HCAR3KDM4EL3MBTL1HRH3
SCHEMBL19355746 0.73 AOC3 (0.40) AOC3HCAR3KDM4EPKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 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-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 TLR7 1326/4885AOC3 2103/4885HCAR3 281/4885

“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.