SCHEMBL6029199

SCHEMBL6029199

NC(=O)c1cccc2cc(-c3ccccn3)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.53
BTK Q06187 2/20 0.51
DHODH Q02127 2/20 0.50
PARP1 P09874 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PARP2 Q9UGN5 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
JAK2 O60674 2/20 0.45
CCNB2 O95067 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
GSK3B P49841 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45
IKBKB O14920 1/20 0.45
CCNT1 O60563 1/20 0.45

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
SCHEMBL6028762 0.83 BTK (0.47) CDC7BTKDHODHPARP1KDM4E
SCHEMBL6028881 0.81 PLK4 (0.45) CDC7BTKDHODHPARP1KDM4E
SCHEMBL6028712 0.80 DHODH (0.46) CDC7BTKDHODHPARP1KDM4E
SCHEMBL1654110 0.79 KDM4E (0.52) CDC7KDM4EALDH1A1NPC1LMNA
SCHEMBL5074121 0.78 PARP1 (0.53) CDC7BTKDHODHPARP1KDM4E
SCHEMBL5478847 0.78 KDM4E (0.55) PARP1KDM4EALDH1A1NPC1LMNA
SCHEMBL6028761 0.78 CDC7 (0.49) CDC7BTKDHODHPARP1KDM4E
SCHEMBL6029520 0.78 CDC7 (0.62) CDC7BTKDHODHCCNA2CDK2
SCHEMBL4342616 0.77 CDC7 (0.61) CDC7BTKDHODHPARP1KDM4E
SCHEMBL6029569 0.77 DHODH (0.51) BTKDHODHPARP1KDM4EALDH1A1

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 1138/4885BTK 3015/4885DHODH 674/4885

“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.