SCHEMBL14853401

SCHEMBL14853401

CCN(CC)CCN(C)c1ccc(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
TLR7 Q9NYK1 1/20 0.40
HDAC6 Q9UBN7 2/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.35
AOC3 Q16853 2/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
POLB P06746 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACHE P22303 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL13103012 0.84 HRH3 (0.47) HCAR3TLR7HDAC6CCR1CCR5
SCHEMBL8278724 0.83 CCR1 (0.48) HCAR3HDAC6CCR1CCR5CCR8
SCHEMBL14134792 0.81 TLR7 (0.43) HCAR3TLR7GBA1KDM4EALDH1A1
SCHEMBL19074154 0.81 HCAR3 (0.41) HCAR3HDAC6CCR1CCR5CCR8
SCHEMBL14123325 0.79 TRPV1 (0.43) HCAR3TLR7GBA1KDM4EPKM
SCHEMBL15474137 0.79 TRPV1 (0.41) HCAR3TLR7GBA1KDM4EALDH1A1
SCHEMBL14554344 0.79 HCAR3 (0.41) HCAR3HDAC6CCR1CCR5CCR8
SCHEMBL9906944 0.79 POLB (0.51) HCAR3HDAC6CCR1CCR5CCR8
SCHEMBL11990167 0.78 HCAR3 (0.39) HCAR3TLR7GBA1KDM4EALDH1A1
SCHEMBL2629280 0.77 POLB (0.35) HCAR3TLR7GBA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074115-B1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2018-03-07 EP disclosed
US-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 US disclosed
US-8796259-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 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-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 HCAR3 281/4885TLR7 1326/4885HDAC6 1042/4885

“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.