SCHEMBL1167671

SCHEMBL1167671

CN(C)c1ccc(C(=O)n2nc(Nc3ccc(N4CCCC4)cc3)nc2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.60
JAK1 P23458 4/20 0.60
TYK2 P29597 4/20 0.60
JAK3 P52333 3/20 0.60
INSR P06213 2/20 0.53
AXL P30530 1/20 0.53
CCNB2 O95067 3/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNB3 Q8WWL7 3/20 0.49
F12 P00748 2/20 0.45
BTK Q06187 1/20 0.44
NAMPT P43490 1/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 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
SCHEMBL1167757 0.92 JAK2 (0.58) JAK2JAK1TYK2JAK3INSR
SCHEMBL1167539 0.89 INSR (0.55) JAK2JAK1TYK2JAK3INSR
SCHEMBL1167659 0.86 INSR (0.53) JAK2JAK1TYK2JAK3INSR
SCHEMBL1168104 0.83 MAPT (0.58) JAK2JAK1TYK2JAK3INSR
SCHEMBL1167480 0.83 INSR (0.53) JAK2JAK1TYK2JAK3INSR
SCHEMBL1167486 0.82 MAPT (0.59) JAK2JAK1TYK2JAK3INSR
SCHEMBL1166990 0.82 BACE1 (0.58) JAK2JAK1TYK2JAK3INSR
SCHEMBL1167701 0.81 BACE1 (0.59) JAK2JAK1TYK2JAK3INSR
SCHEMBL1167529 0.81 JAK2 (0.53) JAK2JAK1TYK2JAK3INSR
SCHEMBL1167003 0.81 JAK2 (0.55) JAK2JAK1TYK2JAK3INSR

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 JAK2 134/4885JAK1 99/4885TYK2 9/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 JAK2 68/4885JAK1 77/4885TYK2 14/4885

“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.