SCHEMBL1168095

SCHEMBL1168095

Cc1cccc(C(=O)n2nc(Nc3cccc(OCC(=O)OC(C)(C)C)c3)nc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.49
▸ JAK1 P23458 6/20 0.49
▸ KMT2A Q03164 1/20 0.46
▸ JAK2 O60674 3/20 0.46
▸ F2 P00734 1/20 0.46
▸ F12 P00748 1/20 0.46
▸ SYK P43405 1/20 0.45
▸ JAK3 P52333 3/20 0.42
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL1167301 0.91 KMT2A (0.57) TYK2JAK1KMT2AJAK2F2
SCHEMBL1167782 0.88 JAK2 (0.58) TYK2JAK1KMT2AJAK2F2
SCHEMBL12708354 0.87 TYK2 (0.44) TYK2JAK1KMT2AJAK2F2
SCHEMBL1168022 0.87 TYK2 (0.51) TYK2JAK1JAK2F2F12
SCHEMBL1168097 0.86 F2 (0.48) TYK2JAK1F2F12JAK3
SCHEMBL1167679 0.86 TYK2 (0.54) TYK2JAK1KMT2AJAK2F2
SCHEMBL1167620 0.84 TYK2 (0.52) TYK2JAK1JAK2F2F12
SCHEMBL1167907 0.84 TYK2 (0.49) TYK2JAK1KMT2AJAK2F2
SCHEMBL1167674 0.83 TYK2 (0.51) TYK2JAK1JAK2F2F12
SCHEMBL12881252 0.82 TYK2 (0.47) TYK2JAK1KMT2AJAK2F2

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 99/4885KMT2A 2650/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 TYK2 14/4885JAK1 77/4885KMT2A 3149/4885

“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.

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