SCHEMBL6028372

SCHEMBL6028372

NC(=O)c1cccc2cc(C3CCNCC3)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.53
PARP2 Q9UGN5 4/20 0.47
CDC7 O00311 1/20 0.43
PDPK1 O15530 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41

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
SCHEMBL6028492 0.88 PDPK1 (0.44) PARP1CDC7PDPK1PLK4CHEK1
SCHEMBL6029262 0.86 PDPK1 (0.43) PARP1PARP2PDPK1PLK4CHEK1
SCHEMBL6029260 0.86 PDPK1 (0.43) PARP1PARP2PDPK1PLK4CHEK1
SCHEMBL6028177 0.83 PARP1 (0.56) PARP1PARP2PDPK1
SCHEMBL6029775 0.82 PARP1 (0.58) PARP1PARP2PDPK1PLK4CHEK1
SCHEMBL29709465 0.81 PDPK1 (0.40) PARP1PARP2PDPK1PLK4CHEK1
SCHEMBL28921624 0.80 PARP1 (0.58) PARP1PARP2CDC7IKBKBCHUK
SCHEMBL6029106 0.80 PARP1 (0.58) PARP1PARP2
SCHEMBL29709485 0.78 PARP1 (0.60) PARP1PARP2
SCHEMBL6028914 0.78 PARP1 (0.60) PARP1PARP2

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 PARP1 1/4885PARP2 2/4885CDC7 1138/4885

“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.