SCHEMBL1167342

SCHEMBL1167342

CC(=O)Oc1ccc(C(=O)n2nc(Nc3ccc4c(c3)OCCO4)nc2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
PKM P14618 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
INSR P06213 1/20 0.45
AXL P30530 1/20 0.45
JAK1 P23458 4/20 0.45
TYK2 P29597 4/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
TP53 P04637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 2/20 0.43
MAPT P10636 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
SCHEMBL1167309 0.91 NPC1 (0.54) NPC1RAB9APKMKMT2AJAK1
SCHEMBL1167550 0.90 TYK2 (0.46) NPC1RAB9APKMMEN1KMT2A
SCHEMBL1168108 0.89 MAPT (0.46) NPC1RAB9APKMMEN1KMT2A
SCHEMBL1167643 0.89 NPC1 (0.57) NPC1RAB9AMEN1KMT2AINSR
SCHEMBL1167625 0.88 CYP1A2 (0.53) NPC1RAB9APKMMEN1KMT2A
SCHEMBL1168364 0.88 NPC1 (0.52) NPC1RAB9AKMT2AINSRAXL
SCHEMBL1168089 0.88 CCNB2 (0.49) INSRAXLJAK1TYK2CCNB2
SCHEMBL1167217 0.87 CCNB2 (0.48) MEN1KMT2AINSRAXLJAK1
SCHEMBL1167712 0.86 JAK2 (0.53) NPC1RAB9AMEN1KMT2AINSR
SCHEMBL1168520 0.86 NPC1 (0.52) NPC1RAB9AKMT2AINSRAXL

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 NPC1 4265/4885RAB9A 2453/4885PKM 3007/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 NPC1 4479/4885RAB9A 2572/4885PKM 2458/4885

“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.