SCHEMBL1168009

SCHEMBL1168009

N#Cc1ccc(C(=O)n2nc(Nc3ccc4c(c3)OCCO4)nc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
JAK2 O60674 4/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
VNN1 O95497 1/20 0.44
INSR P06213 1/20 0.44
AXL P30530 1/20 0.44
JAK1 P23458 3/20 0.43
TYK2 P29597 3/20 0.43
JAK3 P52333 1/20 0.43
SYK P43405 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL1168089 0.89 CCNB2 (0.49) JAK2CCNB2CDK1CCNB1CCNB3
SCHEMBL1167217 0.88 CCNB2 (0.48) ALDH1A1JAK2CCNB2CDK1CCNB1
SCHEMBL1167693 0.87 JAK1 (0.50) ALDH1A1JAK2CCNB2CDK1CCNB1
SCHEMBL1168364 0.87 NPC1 (0.52) ALDH1A1JAK2CCNB2CDK1CCNB1
SCHEMBL1168520 0.87 NPC1 (0.52) ALDH1A1JAK2CCNB2CDK1CCNB1
SCHEMBL1167625 0.85 CYP1A2 (0.53) PKMJAK2CCNB2CDK1CCNB1
SCHEMBL1167716 0.84 TRPV1 (0.45) JAK2CCNB2CDK1CCNB1CCNB3
SCHEMBL1167863 0.84 CCNB2 (0.45) JAK2CCNB2CDK1CCNB1CCNB3
SCHEMBL1167721 0.84 TRPV1 (0.46) JAK2CCNB2CDK1CCNB1CCNB3
SCHEMBL1167309 0.84 NPC1 (0.54) ALDH1A1PKMJAK1TYK2

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 ALDH1A1 3801/4885PKM 3007/4885JAK2 134/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 ALDH1A1 4026/4885PKM 2458/4885JAK2 68/4885

“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.