SCHEMBL21180249

SCHEMBL21180249

COc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.58
AURKA O14965 1/20 0.58
SLC2A1 P11166 1/20 0.49
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
NOX1 Q9Y5S8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
PTGES O14684 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.46
RECQL P46063 1/20 0.46
TDO2 P48775 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 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
SCHEMBL28143316 0.89 GUSB (0.56) PDE5AAURKASLC2A1NOX1ALDH1A1
SCHEMBL28295235 0.85 KDM4E (0.55) PDE5AALDH1A1GAAPTGESKDM4E
SCHEMBL28142400 0.85 GUSB (0.52) PDE5AAURKASLC2A1NOX1ALDH1A1
SCHEMBL21180300 0.83 GAA (0.50) ALDH1A1GAAPTGESKDM4EMEN1
SCHEMBL21180297 0.79 PTGES (0.73) ALDH1A1GAAPTGESKDM4EMEN1
SCHEMBL21180250 0.79 PTGES (0.49) ALDH1A1GAAPTGESKDM4EMEN1
SCHEMBL2062319 0.79 KDM4E (0.73) PDE5ANOX1ALDH1A1GAAPTGES
SCHEMBL19233099 0.79 PTGES (0.49) ALDH1A1GAAPTGESKDM4EMEN1
SCHEMBL29930654 0.79 KDM4E (0.73) PDE5ANOX1ALDH1A1GAAPTGES
SCHEMBL27196577 0.79 PTGES (0.49) ALDH1A1GAAPTGESKDM4EMEN1

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-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

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 PDE5A 4789/4885AURKA 3231/4885SLC2A1 4242/4885
US-20240124514-A1 DEOXYNUCLEOSIDE MODIFIED RUTHENIUM COMPLEX, AND PREPARATION METHOD AND USE THEREOF RRM2B, RRM2, NCL PDE5A 4441/4885AURKA 3963/4885SLC2A1 4115/4885

“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.