SCHEMBL4997400

SCHEMBL4997400

COc1cc2ncnc(-n3nc(Nc4ccc5c(c4)CCC(N4CCCC4)CC5)nc3N)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 16/20 0.68
KDR P35968 9/20 0.68
INSR P06213 8/20 0.68
EGFR P00533 3/20 0.52
AURKA O14965 1/20 0.52
RET P07949 1/20 0.52
MET P08581 1/20 0.52
KIT P10721 1/20 0.52
SRC P12931 1/20 0.52
PDGFRA P16234 1/20 0.52
FLT3 P36888 1/20 0.52
TYRO3 Q06418 1/20 0.52
DDR1 Q08345 1/20 0.52
MERTK Q12866 1/20 0.52
AURKB Q96GD4 1/20 0.52
ALK Q9UM73 1/20 0.52
LCK P06239 2/20 0.49
ATM Q13315 2/20 0.47

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
SCHEMBL931052 0.93 AXL (0.70) AXLKDRINSREGFRAURKA
SCHEMBL1329689 0.86 AXL (0.66) AXLKDRINSRATM
SCHEMBL929432 0.85 AXL (0.73) AXLKDRINSREGFRLCK
SCHEMBL4983688 0.84 AXL (0.66) AXLKDRINSRKITATM
SCHEMBL4236156 0.84 AXL (0.80) AXLKDRINSRATM
SCHEMBL3959675 0.84 AXL (0.80) AXLKDRINSRATM
SCHEMBL3960024 0.84 AXL (0.80) AXLKDRINSRATM
SCHEMBL4984043 0.84 AXL (0.89) AXLKDRINSR
SCHEMBL29928115 0.84 AXL (0.89) AXLKDRINSR
SCHEMBL4982458 0.84 AXL (0.68) AXLKDRINSRKITATM

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.