SCHEMBL3963633

SCHEMBL3963633

CC(=O)c1ccc(Nc2nc(N)n(-c3ccccc3F)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.61
BACE1 P56817 3/20 0.54
JAK1 P23458 5/20 0.52
TYK2 P29597 5/20 0.52
JAK2 O60674 4/20 0.52
JAK3 P52333 4/20 0.52
KIT P10721 4/20 0.52
CCNB2 O95067 3/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNB3 Q8WWL7 3/20 0.45
EIF2AK2 P19525 2/20 0.45
PLK4 O00444 1/20 0.45
STK25 O00506 1/20 0.45
RIOK3 O14730 1/20 0.45
AURKA O14965 1/20 0.45
GAK O14976 1/20 0.45
DCLK1 O15075 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45

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
SCHEMBL14369628 0.81 FLT3 (0.61) FLT3BACE1JAK1TYK2KIT
SCHEMBL28335490 0.79 FLT3 (0.61) FLT3BACE1JAK1TYK2JAK2
SCHEMBL4039053 0.79 FLT3 (0.81) FLT3JAK2JAK3KITAURKA
SCHEMBL29929250 0.76 BACE1 (0.58) FLT3BACE1JAK2KITAURKA
SCHEMBL4997570 0.76 BACE1 (0.58) FLT3BACE1JAK2KITAURKA
SCHEMBL4044001 0.76 FLT3 (1.00) FLT3BACE1JAK2KITAURKA
SCHEMBL1249224 0.76 CCNB2 (0.65) FLT3JAK1TYK2JAK2JAK3
SCHEMBL4046909 0.75 FLT3 (0.72) FLT3BACE1JAK1TYK2JAK2
SCHEMBL4038690 0.75 FLT3 (0.67) FLT3BACE1JAK2KITPLK4
SCHEMBL4039143 0.74 FLT3 (0.80) FLT3BACE1JAK2KITAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP claimed
EP-2079736-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
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
WO-2008083356-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO claimed
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP 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
EP-2079736-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-22 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
WO-2008083356-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO 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 4/4885BACE1 2416/4885JAK1 112/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK FLT3 4/4885BACE1 2416/4885JAK1 112/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK FLT3 4/4885BACE1 2416/4885JAK1 112/4885
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 3/4885BACE1 3671/4885JAK1 16/4885

“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.