SCHEMBL1168028

SCHEMBL1168028

Nc1nc(Nc2ccc3c(c2)OCCO3)nn1C(=O)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.48
AXL P30530 1/20 0.48
SYK P43405 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
JAK1 P23458 4/20 0.42
TYK2 P29597 4/20 0.42
KMT2A Q03164 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MEN1 O00255 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ULK1 O75385 1/20 0.41
CHEK1 O14757 1/20 0.41
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL1168694 0.91 RAB9A (0.45) INSRAXLSYKNPC1RAB9A
SCHEMBL1167643 0.88 NPC1 (0.57) INSRAXLNPC1RAB9AJAK1
SCHEMBL1167721 0.87 TRPV1 (0.46) INSRAXLRAB9AJAK1TYK2
SCHEMBL1167712 0.86 JAK2 (0.53) INSRAXLNPC1RAB9AJAK1
SCHEMBL1167309 0.85 NPC1 (0.54) NPC1RAB9AJAK1TYK2KMT2A
SCHEMBL1167543 0.85 JAK2 (0.48) INSRAXLNPC1RAB9AJAK1
SCHEMBL1167342 0.84 NPC1 (0.55) INSRAXLNPC1RAB9AJAK1
SCHEMBL1167693 0.84 JAK1 (0.50) INSRAXLNPC1RAB9AJAK1
SCHEMBL1168089 0.84 CCNB2 (0.49) INSRAXLSYKJAK1TYK2
SCHEMBL1167511 0.84 AXL (0.61) INSRAXLSYKNPC1RAB9A

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 INSR 508/4885AXL 1/4885SYK 14/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 INSR 291/4885AXL 1/4885SYK 13/4885

“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.