SCHEMBL1167828

SCHEMBL1167828

CN(C)c1ccc(C(=O)n2nc(NC3CCN(S(C)(=O)=O)CC3)nc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.46
CCNE1 P24864 7/20 0.46
CCND1 P24385 10/20 0.45
CDK1 P06493 9/20 0.45
CDK4 P11802 8/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
SYK P43405 1/20 0.43
CDK6 Q00534 3/20 0.40
IKBKB O14920 1/20 0.40
CASK O14936 1/20 0.39
ROCK2 O75116 1/20 0.39
CDKL5 O76039 1/20 0.39
STK10 O94804 1/20 0.39
CDK14 O94921 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
MAK P20794 1/20 0.39

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
SCHEMBL1167337 0.84 CDK2 (0.42) CDK2CCNE1CCND1CDK1CDK4
SCHEMBL1167915 0.84 INSR (0.46) CDK2CCNE1CCND1CDK1CDK4
SCHEMBL1167911 0.84 CDK2 (0.44) CDK2CCNE1CCND1CDK1CDK4
SCHEMBL1167793 0.84 CDK2 (0.44) CDK2CCNE1CCND1CDK1CDK4
SCHEMBL1167407 0.81 CDK2 (0.49) CDK2CCNE1CCND1CDK1CDK4
SCHEMBL1167433 0.81 CDK2 (0.47) CDK2CCNE1CCND1CDK1CDK4
SCHEMBL1168934 0.80 CDK1 (0.63) CDK2CCND1CDK1CDK4JAK2
SCHEMBL1167671 0.70 JAK2 (0.60) CDK2CCND1CDK1CDK4JAK2
SCHEMBL1167757 0.69 JAK2 (0.58) CDK2CCND1CDK1CDK4JAK2
SCHEMBL1167447 0.67 JAK2 (0.56) CDK1JAK2JAK1TYK2JAK3

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 CDK2 176/4885CCNE1 2601/4885CCND1 3251/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 CDK2 206/4885CCNE1 3133/4885CCND1 3407/4885

“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.