SCHEMBL1167488

SCHEMBL1167488

Nc1nc(Nc2ccc(Br)cc2)nn1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.57
CDK1 P06493 3/20 0.57
CCNB1 P14635 3/20 0.57
CCNB3 Q8WWL7 3/20 0.57
JAK1 P23458 6/20 0.54
TYK2 P29597 6/20 0.54
JAK2 O60674 4/20 0.54
JAK3 P52333 4/20 0.54
F2 P00734 6/20 0.53
F12 P00748 2/20 0.50
MAPT P10636 2/20 0.50
KLK7 P49862 1/20 0.50
KLK5 Q9Y337 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PLK4 O00444 1/20 0.47
STK25 O00506 1/20 0.47
RIOK3 O14730 1/20 0.47
AURKA O14965 1/20 0.47

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
SCHEMBL1167320 0.94 CCNB2 (0.62) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1248356 0.88 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL5986060 0.85 CCNB2 (0.79) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167961 0.81 CCNB2 (0.62) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL7092945 0.79 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1168520 0.79 NPC1 (0.52) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1248143 0.78 CCNB2 (0.77) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1250715 0.77 TYK2 (0.62) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167536 0.77 CCNB2 (0.58) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1250806 0.76 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3JAK1

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 CCNB2 1915/4885CDK1 202/4885CCNB1 2575/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 CCNB2 2510/4885CDK1 307/4885CCNB1 2980/4885

“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.