SCHEMBL6029569

SCHEMBL6029569

NC(=O)c1cccc2cc(-c3cc4ccccc4[nH]3)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.51
PDPK1 O15530 1/20 0.47
CHEK1 O14757 2/20 0.45
KDR P35968 2/20 0.45
FLT3 P36888 2/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
MAP4K4 O95819 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
LTK P29376 1/20 0.45
MAP2K2 P36507 1/20 0.45
CSNK1A1 P48729 1/20 0.45
PRKX P51817 1/20 0.45
CDK5 Q00535 1/20 0.45
MAP2K1 Q02750 1/20 0.45
MST1R Q04912 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
SCHEMBL5074093 0.85 KDM4E (0.53) DHODHCHEK1KDRFLT3KDM4E
SCHEMBL2860216 0.81 KDR (0.54) CHEK1KDRFLT3AURKAKDM4E
SCHEMBL31310116 0.81 KDR (0.54) CHEK1KDRFLT3AURKAKDM4E
SCHEMBL6029606 0.81 DHODH (0.78) DHODHPDPK1CHEK1KDRFLT3
SCHEMBL6028912 0.80 ALDH1A1 (0.51) DHODHPDPK1FGFR1KDM4EALDH1A1
SCHEMBL6029671 0.79 DHODH (0.68) DHODHPDPK1CHEK1KDRFLT3
SCHEMBL6029052 0.79 DHODH (0.49) DHODHPDPK1CHEK1KDRFLT3
SCHEMBL6028084 0.79 DHODH (0.59) DHODHPDPK1CHEK1KDRFLT3
SCHEMBL5557456 0.79 ESR1 (0.49) CHEK1KDRFLT3AURKAPDGFRA
SCHEMBL28417878 0.79 KDR (0.49) CHEK1KDRFLT3AURKAKDM4E

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 DHODH 674/4885PDPK1 235/4885CHEK1 100/4885

“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.