SCHEMBL6028896

SCHEMBL6028896

NC(=O)c1cccc2cc(-c3ccnc4ccccc34)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.45
GSK3B P49841 2/20 0.45
CDK5R1 Q15078 1/20 0.45
CDC7 O00311 3/20 0.45
KDM5A P29375 3/20 0.44
KDM4C Q9H3R0 3/20 0.44
KDM5B Q9UGL1 3/20 0.44
DHODH Q02127 1/20 0.42
KDM4A O75164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BTK Q06187 2/20 0.40
AURKA O14965 2/20 0.40
PLK4 O00444 1/20 0.40

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
SCHEMBL6029052 0.83 DHODH (0.49) CDK5GSK3BCDK5R1CDC7DHODH
SCHEMBL5074231 0.82 KDM4E (0.45) CDK5GSK3BCDK5R1CDC7KDM5A
SCHEMBL6028761 0.81 CDC7 (0.49) CDK5GSK3BCDC7DHODHKDM4E
SCHEMBL6029199 0.76 CDC7 (0.53) CDK5GSK3BCDK5R1CDC7DHODH
SCHEMBL6028115 0.76 DHODH (0.50) CDK5DHODHBTKAURKAPLK4
SCHEMBL6028912 0.76 ALDH1A1 (0.51) DHODHKDM4EALDH1A1HPGDMAPK1
SCHEMBL6028881 0.76 PLK4 (0.45) CDK5GSK3BCDC7DHODHKDM4E
SCHEMBL6028712 0.75 DHODH (0.46) CDK5GSK3BCDC7DHODHKDM4E
SCHEMBL27991327 0.75 NUDT1 (0.61) KDM4EALDH1A1NPC1HPGDMAPK1
SCHEMBL5414813 0.74 RAB9A (0.59) CDK5GSK3BCDK5R1KDM4EALDH1A1

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 CDK5 195/4885GSK3B 228/4885CDK5R1 291/4885

“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.