SCHEMBL1167933

SCHEMBL1167933

COc1cc(NC(=O)n2nc(N)nc2Nc2ccc(OCCN3CCCCC3)cc2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 5/20 0.46
▸ BACE1 P56817 4/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ SRC P12931 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ TERT O14746 1/20 0.43
▸ KDR P35968 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
SCHEMBL1168162 0.94 HRH3 (0.49) AXLBACE1HRH3BRD4JAK1
SCHEMBL1168010 0.89 HRH3 (0.49) AXLBACE1HRH3BRD4JAK1
SCHEMBL1167926 0.89 HRH3 (0.49) AXLBACE1HRH3BRD4JAK1
SCHEMBL1167827 0.86 SRC (0.51) AXLBACE1BRD4JAK1HDAC1
SCHEMBL1167300 0.86 BACE1 (0.56) AXLBACE1JAK2INSR
SCHEMBL1168132 0.85 BACE1 (0.56) AXLBACE1JAK2INSR
SCHEMBL1167777 0.84 HRH3 (0.47) AXLBACE1HRH3SRCKDM4E
SCHEMBL1168227 0.81 HRH3 (0.51) AXLBACE1HRH3JAK2
SCHEMBL1167994 0.81 HRH3 (0.51) AXLBACE1HRH3JAK2
SCHEMBL1166937 0.80 BACE1 (0.58) AXLBACE1JAK2INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922310-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2008-05-21 — — EP claimed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — US claimed
WO-2007030680-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2007-03-15 — — WO 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 AXL 1/4885BACE1 1261/4885HRH3 1498/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 AXL 1/4885BACE1 2325/4885HRH3 1076/4885

“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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