SCHEMBL4240952

SCHEMBL4240952

CC(C)c1ccc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.62
KIT P10721 4/20 0.62
AXL P30530 4/20 0.59
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.49
BTK Q06187 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BACE1 P56817 2/20 0.47
PLK4 O00444 1/20 0.46

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
SCHEMBL4042120 0.86 FLT3 (0.73) FLT3KITAXLMAPTMAPK1
SCHEMBL1167740 0.82 AXL (0.57) FLT3KITAXLMAPTMAPK1
SCHEMBL4044990 0.82 FLT3 (0.62) FLT3KITAXLMAPTMAPK1
SCHEMBL6226766 0.79 FLT3 (0.64) FLT3KITAXLMAPTMAPK1
SCHEMBL13963887 0.79 FLT3 (0.67) FLT3KITAXLMAPTMAPK1
SCHEMBL4038234 0.78 FLT3 (0.72) FLT3KITAXLMAPTMAPK1
SCHEMBL12781319 0.77 FLT3 (0.65) FLT3KITAXLMAPTMAPK1
SCHEMBL4040681 0.77 FLT3 (0.70) FLT3KITAXLMAPTMAPK1
SCHEMBL4038690 0.76 FLT3 (0.67) FLT3KITAXLMAPTMAPK1
SCHEMBL4037409 0.76 FLT3 (1.00) FLT3KITAXLBACE1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.