SCHEMBL1167869

SCHEMBL1167869

Cc1cccc(C(=O)n2nc(Nc3ccc4oc(COC5CCCCO5)cc4c3)nc2N)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ P2RX3 P56373 2/20 0.40
▸ F2 P00734 1/20 0.39
▸ F12 P00748 1/20 0.39
▸ INSR P06213 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ ELANE P08246 2/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL1166980 0.87 P2RX3 (0.41) TYK2JAK1P2RX3F2F12
SCHEMBL1169181 0.83 F2 (0.48) TYK2JAK1F2F12CCNB2
SCHEMBL1168460 0.81 F2 (0.46) TYK2JAK1F2F12CCNB2
SCHEMBL1168111 0.77 TYK2 (0.58) TYK2JAK1F2F12ELANE
SCHEMBL1167349 0.76 TYK2 (0.41) TYK2JAK1F2F12CCNB2
SCHEMBL1167795 0.74 F2 (0.44) TYK2JAK1F2F12CCNB2
SCHEMBL1168536 0.74 F2 (0.51) TYK2JAK1F2F12CCNB2
SCHEMBL12864573 0.73 TYK2 (0.60) TYK2JAK1F2F12CCNB2
SCHEMBL1167687 0.73 TYK2 (0.41) TYK2JAK1F2F12INSR
SCHEMBL1168467 0.72 TYK2 (0.48) TYK2JAK1F2F12CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — US claimed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 — — US disclosed
EP-1922310-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2008-05-21 — — EP disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — US disclosed
WO-2007030680-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2007-03-15 — — WO 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 (2 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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 TYK2 9/4885JAK1 99/4885P2RX3 3407/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 TYK2 14/4885JAK1 77/4885P2RX3 1370/4885

“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.

Send feedback