SCHEMBL3377951

SCHEMBL3377951

Cn1c(=O)c(C(C)(C)C)nc2ccc(-c3cccc(OC(F)(F)F)c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
PPARG P37231 1/20 0.43
PDE10A Q9Y233 1/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
TRPC5 Q9UL62 2/20 0.42
PIK3CB P42338 1/20 0.41
PRKDC P78527 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
XDH P47989 1/20 0.41
KIT P10721 2/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
TRPA1 O75762 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KDM5A P29375 1/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL3433560 0.92 MAPK14 (0.46) MAPK14PPARGPDE10AGRIN1GRIN2B
SCHEMBL3472581 0.90 TDP2 (0.42) PPARGATMTRPV1CYP3A4
SCHEMBL3474781 0.86 PDE10A (0.44) MAPK14PPARGPDE10AGRIN1GRIN2B
SCHEMBL3376765 0.86 TRPC5 (0.46) MAPK14PPARGGRIN1GRIN2BTRPC5
SCHEMBL3377379 0.85 BRD4 (0.48) MAPK14GRIN1GRIN2BTRPC5
SCHEMBL3434956 0.84 ALDH1A1 (0.54) MAPK14PPARGPDE10AGRIN1GRIN2B
SCHEMBL3346267 0.83 PPARG (0.49) MAPK14PPARGPDE10AGRIN1GRIN2B
SCHEMBL3379857 0.83 KDM5A (0.43) MAPK14PPARGPDE10AGRIN1GRIN2B
SCHEMBL3435117 0.83 FFAR1 (0.46) MAPK14PPARGGRIN1GRIN2BTRPC5
SCHEMBL3376646 0.83 MAPK14 (0.46) MAPK14PDE10AGRIN1GRIN2BTRPC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 MAPK14 3228/4885PPARG 1545/4885PDE10A 640/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 MAPK14 3228/4885PPARG 1545/4885PDE10A 640/4885

“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.