SCHEMBL10203152

SCHEMBL10203152

CCN(CC)C1CCN(c2ccc(C(C)(C)C)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
HRH4 Q9H3N8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMO Q99835 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MCHR1 Q99705 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HMOX1 P09601 1/20 0.37
MEN1 O00255 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
SCHEMBL13368426 0.90 HRH3 (0.42) CYP3A4TRPV1LMNAKDM4EABL1
SCHEMBL14349619 0.85 HRH4 (0.49) CYP3A4LMNAKDM4EABL1HRH3
SCHEMBL14853404 0.83 PDE10A (0.45) HRH3GPR119MCHR1
SCHEMBL10263545 0.82 MCHR1 (0.46) HRH3HRH4GPR119MCHR1
SCHEMBL15652273 0.82 MAP4K4 (0.42) CYP3A4LMNAKDM4EABL1HRH3
SCHEMBL14349635 0.80 HRH3 (0.43) CYP3A4TRPV1LMNAKDM4EABL1
SCHEMBL14349205 0.78 MAPT (0.46) CYP3A4TRPV1LMNAKDM4EABL1
SCHEMBL13248481 0.77 TRPV1 (0.59) CYP3A4TRPV1LMNAKDM4EABL1
SCHEMBL82503 0.77 KCNH2 (0.40) HRH3HRH4GPR119MCHR1
SCHEMBL14349616 0.77 TRPV1 (0.59) CYP3A4TRPV1LMNAKDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9156820-B2 Polycyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-10-30 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-8741898-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-06-03 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
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
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-7709482-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 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 (7 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 CYP3A4 3592/4885TRPV1 3899/4885LMNA 4178/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP3A4 3592/4885TRPV1 3899/4885LMNA 4178/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP3A4 3592/4885TRPV1 3899/4885LMNA 4178/4885
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP3A4 3592/4885TRPV1 3899/4885LMNA 4178/4885
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP3A4 3592/4885TRPV1 3899/4885LMNA 4178/4885
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP3A4 2273/4885TRPV1 3703/4885LMNA 3877/4885
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP3A4 2273/4885TRPV1 3703/4885LMNA 3877/4885

“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.