SCHEMBL6029520

SCHEMBL6029520

NC(=O)c1cccc2cc(-c3ccncc3)[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 15/20 0.62
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
CCNA1 P78396 1/20 0.60
DHODH Q02127 1/20 0.56
BTK Q06187 2/20 0.54
PLK4 O00444 1/20 0.52
MAPK13 O15264 1/20 0.52
DYRK3 O43781 1/20 0.52
ROCK2 O75116 1/20 0.52
RPS6KA5 O75582 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
PIM1 P11309 1/20 0.52
PHKG2 P15735 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CSNK1D P48730 1/20 0.52
CLK2 P49760 1/20 0.52

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
SCHEMBL6029110 0.85 BTK (0.57) CDC7CCNA2CDK2CCNA1DHODH
SCHEMBL29709435 0.85 BTK (0.57) CDC7CCNA2CDK2CCNA1DHODH
SCHEMBL6028044 0.84 DHODH (0.61) CDC7CCNA2CDK2CCNA1DHODH
SCHEMBL6029606 0.84 DHODH (0.78) CDC7CCNA2CDK2CCNA1DHODH
SCHEMBL6028389 0.83 DHODH (0.59) CDC7DHODHBTKPLK4PRKD3
SCHEMBL6028892 0.83 DHODH (0.59) CDC7DHODHBTKPLK4MAP4K4
SCHEMBL6028357 0.83 DHODH (0.59) CDC7CCNA2CDK2CCNA1DHODH
SCHEMBL6029023 0.82 HDAC11 (0.73) CDC7CCNA2CDK2CCNA1DHODH
SCHEMBL6028460 0.81 BTK (0.54) CDC7CCNA2CDK2CCNA1DHODH
SCHEMBL6028084 0.80 DHODH (0.59) CDC7CCNA2CDK2CCNA1DHODH

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-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 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-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 CDC7 1138/4885CCNA2 503/4885CDK2 69/4885

“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.