SCHEMBL1168044

SCHEMBL1168044

Cc1cccc(C(=O)n2nc(Nc3ccc4cnn(C)c4c3)nc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.50
▸ TYK2 P29597 7/20 0.49
▸ JAK1 P23458 6/20 0.49
▸ F2 P00734 1/20 0.48
▸ F12 P00748 1/20 0.48
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ JAK2 O60674 4/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ ENPP3 O14638 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ XIAP P98170 1/20 0.43

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
SCHEMBL1167819 0.92 F2 (0.50) ELANETYK2JAK1F2F12
SCHEMBL12864573 0.84 TYK2 (0.60) TYK2JAK1F2F12CCNB2
SCHEMBL1168046 0.82 TYK2 (0.48) TYK2JAK1F2F12CCNB2
SCHEMBL1168441 0.81 TYK2 (0.48) TYK2JAK1F2F12CCNB2
SCHEMBL1167937 0.81 TYK2 (0.56) TYK2JAK1F2F12CCNB2
SCHEMBL1167578 0.80 TYK2 (0.66) ELANETYK2JAK1F2F12
SCHEMBL1168802 0.80 F2 (0.51) TYK2JAK1F2F12CCNB2
SCHEMBL1167551 0.79 F2 (0.50) TYK2JAK1F2F12CCNB2
SCHEMBL1168056 0.79 F2 (0.50) TYK2JAK1F2F12CCNB2
SCHEMBL1168467 0.78 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 ELANE 1120/4885TYK2 9/4885JAK1 99/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 ELANE 1918/4885TYK2 14/4885JAK1 77/4885

“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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