SCHEMBL3387107

SCHEMBL3387107

CCc1cnc(Nc2cccc(F)c2)nc1NCCC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 12/20 0.64
▸ SIRT5 Q9NXA8 1/20 0.50
▸ PDPK1 O15530 4/20 0.49
▸ SYK P43405 2/20 0.48
▸ NTRK1 P04629 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCND2 P30279 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ JAK3 P52333 1/20 0.46

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
SCHEMBL3389025 0.88 TBK1 (0.58) TBK1SIRT5PDPK1SYKNTRK1
SCHEMBL3384911 0.87 TBK1 (0.51) TBK1SIRT5PDPK1SYKNTRK1
SCHEMBL3383659 0.86 TBK1 (0.65) TBK1SIRT5PDPK1SYKNTRK1
SCHEMBL3387114 0.85 TBK1 (0.66) TBK1PDPK1
SCHEMBL3383879 0.83 TBK1 (0.69) TBK1PDPK1SYKNTRK1
SCHEMBL15584511 0.81 TBK1 (0.58) TBK1SIRT5PDPK1SYKNTRK1
SCHEMBL13432263 0.78 TBK1 (1.00) TBK1PDPK1
Trifluoroacetic Acid SCHEMBL3388234 0.78 TBK1 (0.63) TBK1SIRT5PDPK1NTRK1
SCHEMBL3387818 0.78 TBK1 (0.73) TBK1PDPK1
SCHEMBL16520165 0.77 TBK1 (0.54) TBK1

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-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 — — US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 — — 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 TBK1 2898/4885SIRT5 1275/4885PDPK1 2468/4885

“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.

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