SCHEMBL3329484

SCHEMBL3329484

Cn1nc(C(F)F)c(C(N)=O)c1-c1ccccc1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.41
CSNK1E P49674 2/20 0.41
GRM5 P41594 1/20 0.39
DHODH Q02127 1/20 0.39
TGFBR1 P36897 1/20 0.37
GRM2 Q14416 12/20 0.35
MAPK9 P45984 2/20 0.35
PRKD2 Q9BZL6 2/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL1763226 0.91 CSNK1E (0.41) CSNK1DCSNK1EDHODHPOLB
SCHEMBL1762881 0.90 CSNK1D (0.41) CSNK1DCSNK1EDHODHGRM2PRKD2
SCHEMBL1762911 0.89 POLB (0.36) CSNK1DCSNK1EDHODHGRM2POLB
SCHEMBL29198567 0.86 DHODH (0.39) CSNK1DCSNK1EGRM5DHODHTGFBR1
SCHEMBL18691186 0.85 POLB (0.35) CSNK1DCSNK1EDHODHTGFBR1GRM2
SCHEMBL1763152 0.84 CSNK1E (0.43) CSNK1DCSNK1EMAPK9PRKD2PLK4
SCHEMBL28483197 0.84 DHODH (0.36) CSNK1DCSNK1EGRM5DHODHGRM2
SCHEMBL1762883 0.84 POLB (0.38) CSNK1DCSNK1EGRM5DHODHPOLB
SCHEMBL1763063 0.83 MGLL (0.38) CSNK1DCSNK1EDHODHTGFBR1POLB
SCHEMBL3209298 0.83 HSD17B10 (0.38) CSNK1DCSNK1EDHODHGRM2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263327-B2 Enzymatic method for the production of microcapsules BASF SE (DE) 2012-09-11 US disclosed
US-20100120617-A1 Enzymatic Method for the Production of Microcapsules BASF SE 2010-05-13 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 (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-20100120617-A1 Enzymatic Method for the Production of Microcapsules MGAM, ACHE, BCHE CSNK1D 1071/4885CSNK1E 1043/4885GRM5 2191/4885

“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.