SCHEMBL4987947

SCHEMBL4987947

CN1CCN(c2ccc(Nc3nc(N)n(-c4nccc5ccccc45)n3)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.62
FLT3 P36888 4/20 0.55
HRH4 Q9H3N8 1/20 0.51
INSR P06213 3/20 0.47
KDR P35968 3/20 0.47
KIT P10721 3/20 0.46
BACE1 P56817 2/20 0.45
WEE1 P30291 1/20 0.42
CTSC P53634 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
CDK11A Q9UQ88 1/20 0.40
HTR3A P46098 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
SCHEMBL4994495 0.87 AXL (0.80) AXLFLT3HRH4INSRKDR
SCHEMBL29927675 0.87 AXL (0.80) AXLFLT3HRH4INSRKDR
SCHEMBL4982871 0.84 AXL (0.82) AXLFLT3KDRKITBACE1
SCHEMBL4236700 0.83 AXL (0.59) AXLFLT3HRH4INSRKDR
SCHEMBL29928096 0.81 AXL (0.62) AXLFLT3HRH4INSRKDR
SCHEMBL4995010 0.81 AXL (0.62) AXLFLT3HRH4INSRKDR
SCHEMBL29928442 0.80 FLT3 (0.69) AXLFLT3HRH4INSRKDR
SCHEMBL4986533 0.80 FLT3 (0.69) AXLFLT3HRH4INSRKDR
SCHEMBL4982687 0.79 AXL (0.57) AXLFLT3HRH4INSRKDR
SCHEMBL12779077 0.78 AXL (0.71) AXLFLT3INSRKITBACE1

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 9 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 claimed
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 US claimed
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
EP-2484679-B1 N3-heteroaryl substituted triazoles and n5-heteroaryl substitued triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS INC (US) 2016-09-28 EP 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
EP-2484679-A2 N3-heteroaryl substituted triazoles and n5-heteroaryl substitued triazoles useful as axl inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-08-08 EP 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 (2 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 AXL 1/4885FLT3 6/4885HRH4 784/4885
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885FLT3 6/4885HRH4 784/4885

“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.