SCHEMBL4989073

SCHEMBL4989073

Cc1cc(Nc2nc(N)n(-c3nc(Cl)nc4c(C)csc34)n2)cnc1N1CCN(CC2CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 13/20 0.57
INSR P06213 2/20 0.57
KDR P35968 6/20 0.55
BACE1 P56817 2/20 0.34
PIK3CA P42336 1/20 0.33
EIF4EBP1 Q13541 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NOD2 Q9HC29 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL4992096 0.89 AXL (0.53) AXLINSRKDRMAPTMAPK1
SCHEMBL4988008 0.89 AXL (0.60) AXLINSRKDRBACE1
SCHEMBL4308130 0.86 AXL (0.59) AXLINSRKDRBACE1NPC1
SCHEMBL4988351 0.86 AXL (0.55) AXLINSRKDRBACE1MAPT
SCHEMBL4989372 0.84 AXL (0.78) AXLINSRKDRPIK3CAEGFR
SCHEMBL4303132 0.84 AXL (0.62) AXLINSRKDRBACE1
SCHEMBL4304715 0.83 AXL (0.65) AXLINSRKDRBACE1
SCHEMBL4989158 0.80 AXL (0.56) AXLINSRKDRBACE1
SCHEMBL4989151 0.80 AXL (0.56) AXLINSRKDRBACE1
SCHEMBL4990756 0.80 AXL (0.65) AXLINSRKDR

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 1/4885INSR 143/4885KDR 88/4885
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885INSR 143/4885KDR 88/4885

“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.