SCHEMBL4920059

SCHEMBL4920059

CC(O)CNc1cc(-c2cncc(NCc3ccc(Cl)cc3)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ MAPK14 Q16539 4/20 0.39
▸ MAPK13 O15264 2/20 0.39
▸ MAPK12 P53778 2/20 0.39
▸ MAPK11 Q15759 2/20 0.39
▸ PIK3C3 Q8NEB9 3/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL4928863 0.84 POLB (0.49) POLBKDM4EALDH1A1CLK4DYRK1A
SCHEMBL4930981 0.77 CNR1 (0.49) POLBKDM4EALDH1A1CLK4DYRK1A
SCHEMBL4154749 0.77 ROCK2 (0.51) KDM4EALDH1A1CLK4DYRK1AGSK3B
SCHEMBL30596228 0.73 PIK3C3 (0.48) ALDH1A1CLK4FYNMAPK14PIK3C3
SCHEMBL24137484 0.73 PIK3C3 (0.48) ALDH1A1CLK4FYNMAPK14PIK3C3
SCHEMBL4187548 0.72 SCN10A (0.47) KDM4EALDH1A1FYNCCNT1CDK9
SCHEMBL4160467 0.72 FYN (0.48) POLBKDM4EALDH1A1SMN1; SMN2FYN
SCHEMBL4194129 0.72 FYN (0.67) KDM4ECLK4DYRK1AFYNCCNT1
SCHEMBL4196517 0.70 DYRK1A (0.54) SMN1; SMN2CLK4DYRK1AFYNKCNH2
SCHEMBL4184437 0.70 ALPL (0.51) POLBKDM4EALDH1A1CLK4DYRK1A

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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes GALAPAGOS NV (BE) 2008-08-14 — — 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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes ROCK1, TNK2, GRK1 POLB 1234/4885KDM4E 3614/4885ALDH1A1 3779/4885

“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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