SCHEMBL6645409

SCHEMBL6645409

CN(C)C1CCC(c2nc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.53
TNKS2 Q9H2K2 3/20 0.48
CYP3A4 P08684 1/20 0.46
ROCK2 O75116 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
GUSB P08236 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.44
QTRT1 Q9BXR0 1/20 0.44
PARG Q86W56 1/20 0.44
TNKS O95271 1/20 0.43
HTR3A P46098 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL16404341 0.89 PARP1 (0.62) PARP1TNKS2ROCK2KMT2AMAPT
SCHEMBL28004053 0.89 PARP1 (0.62) PARP1TNKS2ROCK2KMT2AMAPT
SCHEMBL28501122 0.83 PARP1 (0.58) PARP1TNKS2ROCK2KMT2AKDM4E
SCHEMBL28507693 0.83 PARP1 (0.56) PARP1TNKS2MEN1KMT2ARAB9A
SCHEMBL28113245 0.81 PARP1 (0.55) PARP1TNKS2QTRT1TNKS
SCHEMBL29499006 0.81 PARP1 (0.55) PARP1TNKS2QTRT1TNKS
SCHEMBL6644993 0.81 PARP1 (0.52) PARP1TNKS2TNKS
SCHEMBL7713954 0.80 PARP1 (0.54) PARP1TNKS2ROCK2KMT2APKM
SCHEMBL30496105 0.80 PARP1 (0.54) PARP1TNKS2ROCK2KMT2APKM
SCHEMBL6644085 0.80 PARP1 (0.52) PARP1TNKS2KDM4EMAPTTNKS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 PARP1 2/4885TNKS2 319/4885CYP3A4 1355/4885

“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.