SCHEMBL5488788

SCHEMBL5488788

Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
PTGS1 P23219 1/20 0.53
LIPE Q05469 5/20 0.52
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
PAX8 Q06710 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
LMNA P02545 2/20 0.48
P2RX1 P51575 1/20 0.48
BRAF P15056 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL15607795 0.90 LIPE (0.61) GAAPTGS1LIPEMEN1RAB9A
SCHEMBL26109550 0.84 POLB (0.50) LIPEMEN1RAB9AKMT2AMAPT
SCHEMBL16964421 0.83 GAA (0.54) GAAPTGS1LIPEALDH1A1HTT
SCHEMBL13765538 0.83 LIPE (0.52) GAAPTGS1LIPEHTTRAB9A
SCHEMBL104612 0.82 RAB9A (0.54) GAALIPEALDH1A1MEN1RAB9A
SCHEMBL29709477 0.82 RAB9A (0.54) GAALIPEALDH1A1MEN1RAB9A
SCHEMBL29536884 0.82 BRAF (0.58) PTGS1ALDH1A1HTTMEN1RAB9A
SCHEMBL13765533 0.82 LIPE (0.51) GAAPTGS1LIPEALDH1A1HTT
SCHEMBL2887561 0.82 BRAF (0.58) PTGS1ALDH1A1HTTMEN1RAB9A
SCHEMBL2997564 0.81 LIPE (0.49) GAALIPEALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (1 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 GAA 3670/4885PTGS1 112/4885LIPE 4027/4885

“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.