SCHEMBL6028044

SCHEMBL6028044

NC(=O)c1cccc2cc(-c3ccc(N)cc3)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.61
HDAC11 Q96DB2 1/20 0.51
PARP1 P09874 3/20 0.50
PDPK1 O15530 1/20 0.46
RIPK1 Q13546 2/20 0.46
BTK Q06187 7/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
MAP4K4 O95819 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
LTK P29376 1/20 0.44
KDR P35968 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1A1 P48729 1/20 0.44

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
SCHEMBL6029606 0.88 DHODH (0.78) DHODHHDAC11PARP1PDPK1RIPK1
SCHEMBL6028892 0.87 DHODH (0.59) DHODHHDAC11PARP1PDPK1RIPK1
SCHEMBL6028632 0.87 DHODH (0.56) DHODHHDAC11PARP1PDPK1BTK
SCHEMBL6028357 0.87 DHODH (0.59) DHODHHDAC11PDPK1RIPK1BTK
SCHEMBL6028389 0.87 DHODH (0.59) DHODHHDAC11PARP1PDPK1BTK
SCHEMBL6027913 0.86 DHODH (0.56) DHODHHDAC11PARP1PDPK1RIPK1
SCHEMBL6029520 0.84 CDC7 (0.62) DHODHBTKPLK4MAP4K4PRKX
SCHEMBL6028084 0.84 DHODH (0.59) DHODHHDAC11PARP1PDPK1BTK
SCHEMBL6029194 0.83 CDC7 (0.57) DHODHHDAC11PARP1PDPK1RIPK1
SCHEMBL6029023 0.83 HDAC11 (0.73) DHODHHDAC11PARP1PDPK1BTK

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 674/4885HDAC11 1186/4885PARP1 1/4885

“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.