SCHEMBL13432004

SCHEMBL13432004

NCCCOc1nc(Nc2cccc(F)c2)ncc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.51
PDPK1 O15530 3/20 0.51
SYK P43405 4/20 0.43
GRM5 P41594 1/20 0.42
CNR2 P34972 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
STK17B O94768 2/20 0.39
STK17A Q9UEE5 2/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
LRRK2 Q5S007 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
Hydrochloric Acid SCHEMBL3384212 0.99 TBK1 (0.50) TBK1PDPK1SYKGRM5CNR2
SCHEMBL13653693 0.88 TBK1 (0.51) TBK1PDPK1SYKGRM5CNR2
SCHEMBL13460187 0.88 TBK1 (0.51) TBK1PDPK1SYKGRM5CNR2
SCHEMBL3383882 0.82 TBK1 (0.69) TBK1PDPK1STK17BSTK17A
Hydrochloric Acid SCHEMBL3388695 0.81 TBK1 (0.68) TBK1PDPK1STK17BSTK17A
SCHEMBL13431857 0.81 TBK1 (0.75) TBK1PDPK1STK17A
SCHEMBL3388652 0.81 TBK1 (0.49) TBK1PDPK1SYKGRM5CNR2
SCHEMBL3384223 0.80 TBK1 (0.55) TBK1PDPK1SYKCNR2EGFR
Trifluoroacetic Acid SCHEMBL3388242 0.75 TBK1 (0.68) TBK1PDPK1SYKSTK17BSTK17A
SCHEMBL13460122 0.73 TBK1 (0.71) TBK1PDPK1STK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 TBK1 2898/4885PDPK1 2468/4885SYK 627/4885

“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.