SCHEMBL4928863

SCHEMBL4928863

CCCNc1cc(-c2cncc(NCc3ccc(Cl)cc3)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CLK4 Q9HAZ1 3/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ KDR P35968 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TNIK Q9UKE5 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.37

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
SCHEMBL4920059 0.84 POLB (0.46) POLBKDM4EALDH1A1CLK4DYRK1A
SCHEMBL4930981 0.80 CNR1 (0.49) POLBKDM4EALDH1A1CLK4DYRK1A
SCHEMBL4154749 0.79 ROCK2 (0.51) KDM4EALDH1A1CLK4DYRK1AKDR
SCHEMBL24137484 0.75 PIK3C3 (0.48) ALDH1A1CLK4MAPK14KDRFYN
SCHEMBL30596228 0.75 PIK3C3 (0.48) ALDH1A1CLK4MAPK14KDRFYN
SCHEMBL4196517 0.72 DYRK1A (0.54) CLK4DYRK1AFYNKCNH2
SCHEMBL4184437 0.72 ALPL (0.51) POLBKDM4EALDH1A1CLK4DYRK1A
SCHEMBL4160467 0.72 FYN (0.48) POLBKDM4EALDH1A1FYNCNR2
SCHEMBL4187548 0.72 SCN10A (0.47) KDM4EALDH1A1CCNT1CDK9KDR
SCHEMBL4194129 0.72 FYN (0.67) KDM4ECLK4DYRK1ACCNT1CDK9

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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