SCHEMBL4986533

SCHEMBL4986533

CN1CCC(c2ccc(Nc3nc(N)n(-c4nccc5ccccc45)n3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.69
KIT P10721 2/20 0.69
AXL P30530 9/20 0.65
INSR P06213 5/20 0.62
KDR P35968 4/20 0.62
JAK3 P52333 3/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
LYN P07948 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
SRC P12931 1/20 0.49
FGFR3 P22607 1/20 0.49
TEK Q02763 1/20 0.49
KARS1 Q15046 1/20 0.49
BACE1 P56817 3/20 0.46
JAK2 O60674 2/20 0.44
PTK2 Q05397 2/20 0.44
TTK P33981 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL29928442 1.00 FLT3 (0.69) FLT3KITAXLINSRKDR
SCHEMBL3966895 0.86 AXL (0.77) FLT3KITAXLINSRKDR
SCHEMBL29927682 0.84 AXL (0.77) FLT3KITAXLINSRKDR
SCHEMBL4236664 0.84 AXL (0.77) FLT3KITAXLINSRKDR
SCHEMBL29927675 0.84 AXL (0.80) FLT3KITAXLINSRKDR
SCHEMBL4994495 0.84 AXL (0.80) FLT3KITAXLINSRKDR
SCHEMBL4248815 0.83 FLT3 (0.65) FLT3KITAXLINSRKDR
SCHEMBL4038099 0.82 FLT3 (1.00) FLT3KITAXLINSRKDR
SCHEMBL29928096 0.82 AXL (0.62) FLT3KITAXLINSRKDR
SCHEMBL4995010 0.82 AXL (0.62) FLT3KITAXLINSRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US claimed
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
EP-2476679-A2 Substituted triazoles useful as AXL inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 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 (4 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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK FLT3 4/4885KIT 383/4885AXL 1/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK FLT3 4/4885KIT 383/4885AXL 1/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK FLT3 4/4885KIT 383/4885AXL 1/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 FLT3 3/4885KIT 467/4885AXL 1/4885

“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.