SCHEMBL1168162

SCHEMBL1168162

COc1ccc(NC(=O)n2nc(N)nc2Nc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ KCNA5 P22460 3/20 0.48
▸ POLB P06746 1/20 0.47
▸ AXL P30530 4/20 0.47
▸ BACE1 P56817 3/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ ESR1 P03372 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
SCHEMBL1167933 0.94 AXL (0.46) HRH3MAPTPOLBAXLBACE1
SCHEMBL1168010 0.93 HRH3 (0.49) HRH3KCNA5AXLBACE1BRD4
SCHEMBL1167926 0.93 HRH3 (0.49) HRH3MAPTALDH1A1AXLBACE1
SCHEMBL1167827 0.87 SRC (0.51) AXLBACE1BRD4JAK1HDAC1
SCHEMBL1166937 0.85 BACE1 (0.58) AXLBACE1
SCHEMBL1167777 0.85 HRH3 (0.47) HRH3MAPTALDH1A1AXLBACE1
SCHEMBL1167994 0.84 HRH3 (0.51) HRH3AXLBACE1
SCHEMBL1168227 0.84 HRH3 (0.51) HRH3AXLBACE1
SCHEMBL1167300 0.80 BACE1 (0.56) AXLBACE1
SCHEMBL1166889 0.80 AXL (0.48) HRH3MAPTALDH1A1AXLBACE1

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 HRH3 1498/4885MAPT 2385/4885ALDH1A1 3801/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 HRH3 1076/4885MAPT 2368/4885ALDH1A1 4026/4885

“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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