SCHEMBL1168010

SCHEMBL1168010

Cc1ccc(NC(=O)n2nc(N)nc2Nc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.49
▸ KCNA5 P22460 3/20 0.48
▸ BRD4 O60885 2/20 0.47
▸ JAK1 P23458 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ AXL P30530 3/20 0.46
▸ SRC P12931 5/20 0.46
▸ PDGFRB P09619 3/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ RET P07949 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ BACE1 P56817 3/20 0.45
▸ KDR P35968 2/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ RAF1 P04049 1/20 0.45

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
SCHEMBL1168162 0.93 HRH3 (0.49) HRH3KCNA5BRD4JAK1HDAC1
SCHEMBL1167926 0.93 HRH3 (0.49) HRH3BRD4JAK1HDAC1AXL
SCHEMBL1167827 0.91 SRC (0.51) BRD4JAK1HDAC1AXLSRC
SCHEMBL1167933 0.89 AXL (0.46) HRH3BRD4JAK1HDAC1AXL
SCHEMBL1168374 0.85 BACE1 (0.57) AXLJAK2BACE1
SCHEMBL1167777 0.85 HRH3 (0.47) HRH3AXLSRCJAK2BACE1
SCHEMBL1167509 0.84 BACE1 (0.57) AXLJAK2BACE1
SCHEMBL1168227 0.84 HRH3 (0.51) HRH3AXLJAK2BACE1
SCHEMBL1167994 0.84 HRH3 (0.51) HRH3AXLJAK2BACE1
SCHEMBL1166889 0.80 AXL (0.48) HRH3BRD4JAK1HDAC1AXL

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 HRH3 1498/4885KCNA5 4853/4885BRD4 957/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 HRH3 1076/4885KCNA5 4709/4885BRD4 2036/4885

“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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