SCHEMBL3965351

SCHEMBL3965351

[c]1ncc2sc3ncccc3c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.42
LIMK1 P53667 3/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
LMNA P02545 2/20 0.38
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
PIK3CA P42336 2/20 0.35
HPGD P15428 2/20 0.34
PDK1 Q15118 1/20 0.33
EGFR P00533 1/20 0.33
NPC1 O15118 2/20 0.32
HSP90AA1 P07900 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRKCI P41743 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7744349 0.77 LIMK1 (0.41) CLK1LIMK1LMNAHSP90AA1KDM4E
SCHEMBL154291 0.76 GPR3 (0.52) LIMK1HPGDEGFRL3MBTL1KDM4E
SCHEMBL2855389 0.73 CLK1 (0.51) CLK1LIMK1CDC7DBF4LMNA
SCHEMBL11884995 0.73 LIMK1 (0.50) CLK1LIMK1CDC7DBF4LMNA
SCHEMBL4886995 0.72 CLK1 (0.43) CLK1LIMK1CDC7DBF4LMNA
SCHEMBL30376713 0.71 GPR3 (0.54) CLK1LIMK1CDC7DBF4LMNA
SCHEMBL3378060 0.71 GPR3 (0.54) CLK1LIMK1CDC7DBF4LMNA
SCHEMBL25662796 0.71 LIMK1 (0.56) CLK1LIMK1CDC7DBF4LMNA
SCHEMBL7743702 0.70 GPR3 (0.48) LIMK1HPGDL3MBTL1KDM4ERAB9A
SCHEMBL5406439 0.69 LMNA (0.42) CLK1LIMK1CDC7DBF4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476679-B1 Substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC (US) 2015-10-14 EP 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
EP-2476679-B1 Substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC (US) 2015-10-14 EP 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
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP 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 CLK1 1522/4885LIMK1 500/4885CDC7 520/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK CLK1 1522/4885LIMK1 500/4885CDC7 520/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK CLK1 1522/4885LIMK1 500/4885CDC7 520/4885
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 CLK1 1930/4885LIMK1 807/4885CDC7 1275/4885

“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.