SCHEMBL6029191

SCHEMBL6029191

CN(C)CCOc1ccc(-c2cc3cccc(C(N)=O)c3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.58
MAP4K4 O95819 2/20 0.53
PIM1 P11309 2/20 0.53
PIM3 Q86V86 2/20 0.53
AURKB Q96GD4 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
STK17A Q9UEE5 2/20 0.53
MAP4K5 Q9Y4K4 2/20 0.53
RPS6KB1 P23443 2/20 0.53
DYRK3 O43781 1/20 0.53
CSNK2A1 P68400 1/20 0.53
PKN2 Q16513 1/20 0.53
BRSK1 Q8TDC3 1/20 0.53
HIPK2 Q9H2X6 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
CHEK1 O14757 3/20 0.52
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48
PHKG2 P15735 1/20 0.48
MARK3 P27448 1/20 0.48

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
SCHEMBL5073297 0.83 TNKS (0.56) TNKSMAP4K4PIM1PIM3AURKB
SCHEMBL6029194 0.81 CDC7 (0.57) CHEK1DHODHKDM4EPARP1HDAC11
SCHEMBL6028855 0.81 PARP1 (0.52) CHEK1DHODHKDM4EALDH1A1CHEK2
SCHEMBL6029990 0.80 PARP1 (0.60) CHEK1KDRDHODHCHEK2PDGFRB
SCHEMBL6028431 0.80 PARP1 (0.51) CHEK1DHODHCHEK2PARP1
SCHEMBL6028989 0.80 PARP1 (0.51) CHEK1DHODHKDM4EALDH1A1CHEK2
SCHEMBL6029382 0.79 PARP1 (0.52) CHEK1DHODHKDM4EALDH1A1CHEK2
SCHEMBL6028389 0.77 DHODH (0.59) MAP4K4MAP4K5PKN2CHEK1CSF1R
SCHEMBL6028915 0.76 PARP1 (0.47) CHEK1KDRDHODHCHEK2PARP1
SCHEMBL6028044 0.76 DHODH (0.61) MAP4K4CLK4CHEK1CSF1RKDR

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 TNKS 14/4885MAP4K4 1754/4885PIM1 343/4885

“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.