SCHEMBL3376765

SCHEMBL3376765

CC(C)(C)c1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n(CCO)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 10/20 0.46
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
BRD4 O60885 2/20 0.40
MAPK14 Q16539 1/20 0.40
P2RX3 P56373 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
DHODH Q02127 1/20 0.39
PPARG P37231 1/20 0.38
PIK3CB P42338 1/20 0.38
PRKDC P78527 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 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
SCHEMBL3435117 0.90 FFAR1 (0.46) TRPC5GRIN1GRIN2BBRD4MAPK14
SCHEMBL3377379 0.89 BRD4 (0.48) TRPC5GRIN1GRIN2BBRD4MAPK14
SCHEMBL3473519 0.88 FFAR1 (0.44) TRPC5GRIN1GRIN2BBRD4MAPK14
SCHEMBL3473464 0.88 SCD (0.51) TRPC5GRIN1GRIN2BBRD4
SCHEMBL3473822 0.87 FFAR1 (0.43) DHODH
SCHEMBL3377951 0.86 MAPK14 (0.45) TRPC5GRIN1GRIN2BMAPK14DHODH
SCHEMBL3475796 0.85 TRPC5 (0.46) TRPC5GRIN1GRIN2BBRD4P2RX3
SCHEMBL3473476 0.85 ALDH1A1 (0.41) TRPC5GRIN1GRIN2BBRD4MAPK14
SCHEMBL3433129 0.85 SCD (0.47) GRIN1GRIN2B
SCHEMBL3475274 0.81 FFAR1 (0.43) TRPC5GRIN1GRIN2BDHODHPPARG

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 7 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
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO 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-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 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 TRPC5 44/4885GRIN1 1435/4885GRIN2B 2067/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TRPC5 44/4885GRIN1 1435/4885GRIN2B 2067/4885

“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.