SCHEMBL1167484

SCHEMBL1167484

CN(C)CCOc1ccc(Nc2nc(N)n(C(=O)c3ccc(OC(C)(C)C)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
JAK1 P23458 3/20 0.46
TYK2 P29597 3/20 0.46
JAK2 O60674 6/20 0.44
JAK3 P52333 2/20 0.44
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
IKBKB O14920 1/20 0.41
PLK1 P53350 1/20 0.41
INSR P06213 1/20 0.41
AXL P30530 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL1167422 0.90 JAK1 (0.48) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1168692 0.89 JAK2 (0.57) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167655 0.87 JAK1 (0.46) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167428 0.85 AXL (0.56) JAK1TYK2JAK2JAK3INSR
SCHEMBL1167441 0.85 JAK1 (0.44) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167703 0.85 JAK1 (0.47) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167481 0.85 BACE1 (0.56) INSRAXL
SCHEMBL1167340 0.85 BACE1 (0.56) INSRAXL
SCHEMBL1167955 0.85 AXL (0.51) JAK2INSRAXL
SCHEMBL1167954 0.83 AXL (0.58) CDK1JAK2JAK3INSRAXL

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 5 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
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US 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.