SCHEMBL21180306

SCHEMBL21180306

Ic1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.51
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK2A1 P68400 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIM3 Q86V86 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
NOX1 Q9Y5S8 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
PTGES O14684 1/20 0.39

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 0.92 MAP4K4 (0.47) ADORA3MAP4K4PIM1CSNK1DCSNK2A1
SCHEMBL28647943 0.88 MAP4K4 (0.50) ADORA3MAP4K4PIM1CSNK1DCSNK2A1
SCHEMBL29922981 0.88 MAP4K4 (0.50) ADORA3MAP4K4PIM1CSNK1DCSNK2A1
SCHEMBL5323937 0.88 MAP4K4 (0.52) ADORA3MAP4K4PIM1CSNK1DCSNK2A1
SCHEMBL30171053 0.88 MAP4K4 (0.52) ADORA3MAP4K4PIM1CSNK1DCSNK2A1
SCHEMBL17368965 0.86 PARP1 (0.42) ADORA3MEN1KMT2ANPC1RAB9A
SCHEMBL2062423 0.85 TNKS (0.49) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL31249853 0.85 PARP1 (0.49) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL18574377 0.85 TNKS (0.48) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL12676130 0.85 PARP1 (0.49) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10358455-B2 Arene ruthenium complex, preparation method and utilization thereof CBR3, CBR1, C1R ADORA3 422/4885MAP4K4 3953/4885PIM1 1039/4885

“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.