SCHEMBL1167877

SCHEMBL1167877

Cc1cccc(C(=O)n2nc(Nc3cccc(OCC(=O)NC4CCCCC4)c3)nc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ TYK2 P29597 3/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ F2 P00734 1/20 0.44
▸ F12 P00748 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42

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
SCHEMBL1167638 0.87 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL1168022 0.87 TYK2 (0.51) TYK2JAK1F2F12JAK2
SCHEMBL1167782 0.85 JAK2 (0.58) KMT2ATYK2JAK1F2F12
SCHEMBL1167301 0.84 KMT2A (0.57) CYP1A2CYP3A4CYP2C19KMT2ATYK2
SCHEMBL1167907 0.84 TYK2 (0.49) SMN1; SMN2KMT2ATYK2JAK1F2
SCHEMBL1167687 0.83 TYK2 (0.41) CYP1A2CYP3A4MEN1KMT2ATYK2
SCHEMBL1167679 0.82 TYK2 (0.54) KMT2ATYK2JAK1F2F12
SCHEMBL1168095 0.81 TYK2 (0.49) KMT2ATYK2JAK1F2F12
SCHEMBL1167615 0.81 SYK (0.51) SMN1; SMN2KMT2ATYK2JAK1F2
SCHEMBL12881252 0.81 TYK2 (0.47) MEN1KMT2ATYK2JAK1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922310-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2008-05-21 — — EP claimed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — US claimed
WO-2007030680-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2007-03-15 — — WO 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 SMN1; SMN2 3462/4885CYP1A2 2834/4885CYP3A4 2094/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 SMN1; SMN2 4319/4885CYP1A2 2943/4885CYP3A4 2079/4885

“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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