SCHEMBL10263545

SCHEMBL10263545

CCc1ccc(N2CCC(N(CC)CC)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
TLR7 Q9NYK1 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
LCAT P04180 1/20 0.38
NSD2 O96028 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
MAP4K4 O95819 1/20 0.37
PDE2A O00408 2/20 0.37
CHRM4 P08173 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL14853404 0.85 PDE10A (0.45) MCHR1TLR7GPR119HRH3MAP4K4
SCHEMBL15652273 0.84 MAP4K4 (0.42) MCHR1TLR7NSD2HRH3MAP4K4
SCHEMBL18404004 0.82 MCHR1 (0.48) MCHR1TLR7GPR119LCATHRH3
SCHEMBL10203152 0.82 CYP3A4 (0.43) MCHR1GPR119HRH3HRH4
SCHEMBL13368426 0.80 HRH3 (0.42) MCHR1GPR119HRH3HRH4
SCHEMBL13268131 0.79 TRPV1 (0.46) MCHR1GPR119LCATHRH3KLKB1
SCHEMBL82503 0.79 KCNH2 (0.40) MCHR1GPR119NSD2HRH3MAP4K4
SCHEMBL21097708 0.76 CKS1B (0.47) GPR119LCATHRH3HRH4CYP1A2
SCHEMBL10331958 0.76 LCAT (0.47) GPR119LCATHRH3CYP1A2CYP2D6
SCHEMBL15652020 0.75 GRIN2D (0.43) TLR7

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
US-8168636-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 US disclosed
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 (3 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-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 MCHR1 1353/4885TLR7 1529/4885GPR119 208/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 MCHR1 1353/4885TLR7 1529/4885GPR119 208/4885
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 MCHR1 1481/4885TLR7 1326/4885GPR119 270/4885

“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.