SCHEMBL1167853

SCHEMBL1167853

CC(C)(C)c1ccc(C(=O)n2nc(N)nc2Nc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ BRD4 O60885 3/20 0.48
▸ JAK1 P23458 3/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ RET P07949 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HRH3 Q9Y5N1 3/20 0.46
▸ PSMB1 P20618 3/20 0.46
▸ PSMB5 P28074 3/20 0.46
▸ PSMB2 P49721 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ AXL P30530 5/20 0.43
▸ BACE1 P56817 3/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ INSR P06213 1/20 0.42

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
SCHEMBL1167609 0.88 AXL (0.47) KDM4EBRD4JAK1HDAC1JAK2
SCHEMBL1166889 0.87 AXL (0.48) KDM4EBRD4JAK1HDAC1JAK2
SCHEMBL1168123 0.87 AXL (0.56) KDM4EBRD4JAK1HDAC1JAK2
SCHEMBL1167673 0.86 BACE1 (0.56) KDM4EBRD4JAK1HDAC1JAK2
SCHEMBL1166865 0.81 DRD2 (0.55) BRD4JAK1HDAC1JAK2RET
SCHEMBL1167566 0.81 MAPT (0.46) KDM4EJAK3ALDH1A1
SCHEMBL1168468 0.79 AXL (0.58) KDM4EJAK2FLT3JAK3ALDH1A1
SCHEMBL1167926 0.79 HRH3 (0.49) KDM4EBRD4JAK1HDAC1JAK2
SCHEMBL1168010 0.79 HRH3 (0.49) BRD4JAK1HDAC1JAK2RET
SCHEMBL1168162 0.79 HRH3 (0.49) KDM4EBRD4JAK1HDAC1HRH3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 KDM4E 4332/4885BRD4 957/4885JAK1 99/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 KDM4E 4285/4885BRD4 2036/4885JAK1 77/4885

“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.

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