SCHEMBL1168934

SCHEMBL1168934

CS(=O)(=O)N1CCC(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.63
CDK2 P24941 8/20 0.63
CDK4 P11802 6/20 0.63
CCND1 P24385 6/20 0.63
CCNB2 O95067 3/20 0.54
CCNB1 P14635 3/20 0.54
CCNB3 Q8WWL7 3/20 0.54
HTT P42858 1/20 0.53
JAK1 P23458 9/20 0.53
TYK2 P29597 9/20 0.53
JAK3 P52333 7/20 0.53
JAK2 O60674 6/20 0.53
ROCK2 O75116 2/20 0.53
STK10 O94804 2/20 0.53
CDK14 O94921 2/20 0.53
ABL1 P00519 2/20 0.53
CDK11B P21127 2/20 0.53
TTK P33981 2/20 0.53
CLK1 P49759 2/20 0.53
CLK2 P49760 2/20 0.53

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
SCHEMBL1167921 0.85 CDK1 (0.57) CDK1CDK2CDK4CCND1CCNB2
SCHEMBL1167828 0.80 CDK2 (0.46) CDK1CDK2CDK4CCND1CCNB2
SCHEMBL1167793 0.78 CDK2 (0.44) CDK1CDK2CDK4CCND1JAK3
SCHEMBL1167911 0.78 CDK2 (0.44) CDK1CDK2CDK4CCND1JAK3
SCHEMBL1167915 0.78 INSR (0.46) CDK1CDK2CDK4CCND1JAK1
SCHEMBL3522558 0.77 CDK1 (1.00) CDK1CDK2CDK4CCND1CCNB2
SCHEMBL1167433 0.77 CDK2 (0.47) CDK1CDK2CDK4CCND1
SCHEMBL1167407 0.77 CDK2 (0.49) CDK1CDK2CDK4CCND1JAK3
SCHEMBL3518107 0.75 CDK2 (0.82) CDK1CDK2CDK4CCND1CCNB2
SCHEMBL3835330 0.75 CDK2 (0.73) CDK1CDK2CDK4CCND1HTT

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 CDK1 202/4885CDK2 176/4885CDK4 220/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 CDK1 307/4885CDK2 206/4885CDK4 474/4885

“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.