SCHEMBL4990541

SCHEMBL4990541

CN1CCN(c2ccc(Nc3nc(N)nn3-c3ncnc4ccc(Cl)cc34)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.54
KDR P35968 3/20 0.54
INSR P06213 2/20 0.54
KDM1A O60341 1/20 0.52
RAD52 P43351 1/20 0.48
GFER P55789 1/20 0.48
MAPKAPK2 P49137 2/20 0.48
EIF2AK2 P19525 2/20 0.45
NTRK1 P04629 1/20 0.45
AOC3 Q16853 2/20 0.45
HTT P42858 1/20 0.44
F10 P00742 1/20 0.43
HTR3A P46098 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL4997739 0.85 AXL (0.73) AXLKDRINSRKDM1ARAD52
SCHEMBL4041423 0.74 AURKA (0.45) AXLKDRINSRKDM1A
SCHEMBL11317545 0.73 AXL (0.63) AXLKDRINSR
SCHEMBL29928392 0.72 AXL (0.53) AXLKDRINSRHTT
SCHEMBL3959028 0.70 AXL (1.00) AXLKDRINSR
SCHEMBL8649556 0.69 HTT (0.47) HTTHTR3AHRH4
SCHEMBL31745315 0.68 HTT (0.63) HTT
SCHEMBL31745367 0.68 HTT (0.63) HTT
SCHEMBL12527373 0.67 HTT (0.77) KDRINSRMAPKAPK2EIF2AK2HTT
SCHEMBL4891594 0.67 MAPT (0.77) AXLMAPKAPK2EIF2AK2HTT

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 10 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
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed
CN-110551105-A substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2019-12-10 CN disclosed
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.