SCHEMBL4989557

SCHEMBL4989557

CN(C)[C@H]1CCN(c2ccc(Nc3nc(N)n(-c4nccc5ccccc45)n3)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 9/20 0.68
KDR P35968 6/20 0.64
INSR P06213 2/20 0.64
FLT3 P36888 4/20 0.47
KIT P10721 2/20 0.46
MCHR1 Q99705 2/20 0.42
BACE1 P56817 1/20 0.41
EGFR P00533 2/20 0.40
FGFR4 P22455 1/20 0.40
JAK2 O60674 1/20 0.40
BRD4 O60885 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
SCHEMBL4990571 1.00 AXL (0.68) AXLKDRINSRFLT3KIT
SCHEMBL4994495 0.82 AXL (0.80) AXLKDRINSRFLT3KIT
SCHEMBL29927675 0.82 AXL (0.80) AXLKDRINSRFLT3KIT
SCHEMBL4253962 0.81 AXL (1.00) AXLFLT3KITBACE1JAK2
SCHEMBL29928998 0.81 AXL (1.00) AXLFLT3KITBACE1JAK2
SCHEMBL4242293 0.80 AXL (0.73) AXLKDRINSRFLT3KIT
SCHEMBL30373558 0.80 AXL (0.73) AXLKDRINSRFLT3KIT
SCHEMBL3953555 0.79 AXL (0.73) AXLKDRINSRFLT3KIT
SCHEMBL4993712 0.78 AXL (1.00) AXLKDRINSRBACE1JAK2
SCHEMBL12779077 0.77 AXL (0.71) AXLINSRFLT3KITBACE1

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 AXL 1/4885KDR 70/4885INSR 247/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK AXL 1/4885KDR 70/4885INSR 247/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK AXL 1/4885KDR 70/4885INSR 247/4885
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 AXL 1/4885KDR 41/4885INSR 199/4885

“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.