SCHEMBL12445754

SCHEMBL12445754

Nc1ncc(F)c(CC(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.40
GABRB2 P47870 4/20 0.40
GABRA1 P14867 3/20 0.40
GABRA4 P48169 3/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
AGBL2 Q5U5Z8 2/20 0.37
KDM4E B2RXH2 2/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33

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
SCHEMBL12445753 0.81 AGBL2 (0.39) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL12445757 0.80 HTT (0.37) KDM4EHSD17B10ALDH1A1
SCHEMBL12445759 0.79 CSNK2A2 (0.38) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL14997814 0.73 USP7 (0.39) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL30739832 0.72 AKR1B1 (0.39) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL28178683 0.72 AKR1B1 (0.39) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL16862577 0.71 GABRP (0.51) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL12445755 0.70 CYP1A2 (0.39) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL29459948 0.69 AKR1B1 (0.43) KDM4EHSD17B10AKR1B1ALDH1A1
SCHEMBL909585 0.69 AKR1B1 (0.43) KDM4EHSD17B10AKR1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531498-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-07-13 EP disclosed
US-9181238-B2 N-(pyridin-2-yl)sulfonamides and compositions thereof as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG 2013-06-06 US disclosed
WO-2011097526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-11 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-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS RAF1, BRAF, ARAF GABRA5 3793/4885GABRB2 3396/4885GABRA1 3446/4885

“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.