SCHEMBL707227

SCHEMBL707227

O=C=Nc1cccc(C(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 3/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.35
NOTUM Q6P988 1/20 0.34
PGK1 P00558 2/20 0.33
PGK2 P07205 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
DAO P14920 1/20 0.33
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CPN1 P15169 1/20 0.30

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
SCHEMBL28651203 0.85 MAPK1 (0.39) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL11402198 0.85 GRIN2D (0.44) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL12488145 0.85 CYP3A4 (0.43) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL15005578 0.84 MAPK1 (0.44) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL9182132 0.81 TDP1 (0.43) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL19665723 0.81 MIF (0.48) TDP1CYP3A4GABRA1GABRB2CYP1A2
SCHEMBL476029 0.80 CYP3A4 (0.40) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL15652627 0.80 CYP3A4 (0.40) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL10402481 0.79 CYP3A4 (0.42) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL11212469 0.79 CYP3A4 (0.39) MAPK1TDP1CYP3A4TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124759-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-28 US disclosed
EP-2297151-A1 INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2150553-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-02-10 EP disclosed
WO-2009136966-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-11-12 WO disclosed
US-20090131425-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-05-21 US disclosed
US-20090023743-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (IL) 2009-01-22 US disclosed
WO-2008141145-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-11-20 WO disclosed
WO-2008141140-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-11-20 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 (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-20090131425-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 MAPK1 457/4885TDP1 502/4885CYP3A4 4679/4885
US-20090023743-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 MAPK1 457/4885TDP1 502/4885CYP3A4 4679/4885

“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.