SCHEMBL6089696

SCHEMBL6089696

Cc1ccc([C@H]2NC(=O)c3cccc4c3N2CC[C@@H]4N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
DRD4 P21917 2/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.35
HPGD P15428 3/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6090392 1.00 TNKS2 (0.39) TNKS2HTR2CHTR2BDRD4KDM4E
SCHEMBL6090413 0.91 PARP1 (0.35) HTR2CHTR2BDRD4KDM4EALDH1A1
SCHEMBL6091992 0.91 PARP1 (0.35) HTR2CHTR2BDRD4KDM4EALDH1A1
SCHEMBL6089791 0.90 TNKS2 (0.35) TNKS2HTR2CHTR2BDRD4KDM4E
SCHEMBL6090730 0.90 TNKS2 (0.35) TNKS2HTR2CHTR2BDRD4KDM4E
SCHEMBL6092215 0.89 MEN1 (0.39) HTR2CHTR2BDRD4KDM4EALDH1A1
SCHEMBL6091026 0.89 PARP1 (0.45) TNKS2HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6092079 0.89 PARP1 (0.45) TNKS2HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6089150 0.89 MEN1 (0.39) HTR2CHTR2BDRD4KDM4EALDH1A1
SCHEMBL6092437 0.89 ALDH1A1 (0.45) TNKS2HTR2CHTR2BDRD4KDM4E

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-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 TNKS2 15/4885HTR2C 3206/4885HTR2B 2595/4885

“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.