SCHEMBL5331780

SCHEMBL5331780

COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP1 P09874 4/20 0.51
TNKS O95271 3/20 0.51
TNKS2 Q9H2K2 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GUSB P08236 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NOX1 Q9Y5S8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46

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
SCHEMBL14579767 0.89 MAP4K4 (0.47) AURKAMEN1KMT2APARP1NPC1
SCHEMBL27196551 0.86 AURKA (0.58) AURKAPARP1NOX1MAPK13RAF1
SCHEMBL2062423 0.85 TNKS (0.49) PARP1TNKSTNKS2NPC1NOX1
SCHEMBL29922981 0.84 MAP4K4 (0.50) MEN1KMT2APARP1TNKSTNKS2
SCHEMBL28647943 0.84 MAP4K4 (0.50) MEN1KMT2APARP1TNKSTNKS2
SCHEMBL5323937 0.84 MAP4K4 (0.52) MEN1KMT2APARP1TNKSTNKS2
SCHEMBL30171053 0.84 MAP4K4 (0.52) MEN1KMT2APARP1TNKSTNKS2
SCHEMBL12676130 0.82 PARP1 (0.49) MEN1KMT2APARP1TNKSTNKS2
SCHEMBL18574377 0.82 TNKS (0.48) MEN1KMT2APARP1TNKSTNKS2
SCHEMBL21180306 0.82 ADORA3 (0.51) AURKAMEN1KMT2ANPC1RAB9A

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-20240124514-A1 DEOXYNUCLEOSIDE MODIFIED RUTHENIUM COMPLEX, AND PREPARATION METHOD AND USE THEREOF Guangzhou Ruby Biotechnology Co., Ltd. (CN) 2024-04-18 US disclosed
US-10358455-B2 Arene ruthenium complex, preparation method and utilization thereof GUANGDONG PHARMACEUTICAL UNIVERSITY (CN) 2019-07-23 US disclosed
WO-2007006026-A1 COMPOSITIONS AND USE THEREOF IN DYE SENSITIZED SOLAR CELLS GENERAL ELECTRIC COMPANY (US) 2007-01-11 WO disclosed
US-20070000539-A1 Compositions and use thereof in dye sensitized solar cells GENERAL ELECTRIC COMPANY 2007-01-04 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 (2 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-10358455-B2 Arene ruthenium complex, preparation method and utilization thereof CBR3, CBR1, C1R AURKA 3231/4885MEN1 4415/4885KMT2A 4363/4885
US-20240124514-A1 DEOXYNUCLEOSIDE MODIFIED RUTHENIUM COMPLEX, AND PREPARATION METHOD AND USE THEREOF RRM2B, RRM2, NCL AURKA 3963/4885MEN1 3449/4885KMT2A 4072/4885

“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.