SCHEMBL5489272

SCHEMBL5489272

CC1(C)OB(c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C(F)(F)F)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.54
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 1/20 0.54
P2RX1 P51575 1/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 2/20 0.53
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ALDH1A1 P00352 1/20 0.51
ESR1 P03372 1/20 0.49
BRAF P15056 3/20 0.48
RAF1 P04049 1/20 0.48
KCNQ3 O43525 2/20 0.48
KCNQ2 O43526 2/20 0.48
KCNE1 P15382 2/20 0.48
KCNQ1 P51787 2/20 0.48

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
SCHEMBL2887561 0.89 BRAF (0.58) MEN1HTTRAB9AKMT2AMAPT
SCHEMBL29536884 0.89 BRAF (0.58) MEN1HTTRAB9AKMT2AMAPT
SCHEMBL25272009 0.84 LMNA (0.61) MEN1HTTRAB9AKMT2AMAPT
SCHEMBL3308119 0.84 MEN1 (0.61) MEN1HTTRAB9AKMT2AMAPT
SCHEMBL16035530 0.82 KCNQ3 (0.55) MEN1HTTRAB9AKMT2AKCNK3
SCHEMBL29427247 0.82 KCNQ3 (0.55) MEN1HTTRAB9AKMT2AKCNK3
SCHEMBL4016155 0.81 RAF1 (0.58) MEN1HTTRAB9AKMT2AMAPT
SCHEMBL28882853 0.81 MAP2K1 (0.47) LMNAALDH1A1
SCHEMBL5488788 0.80 GAA (0.59) MEN1HTTRAB9AKMT2AMAPT
SCHEMBL2313313 0.79 PTGS1 (0.58) MEN1HTTRAB9AKMT2AMAPT

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 MEN1 2987/4885HTT 3487/4885RAB9A 3546/4885

“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.