SCHEMBL13890835

SCHEMBL13890835

Bc1nn(C2CCCCO2)c2ccc(C#N)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.38
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.34
CNR2 P34972 2/20 0.34
RET P07949 2/20 0.34
CNR1 P21554 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CYP4F2 P78329 4/20 0.33
CYP4A11 Q02928 4/20 0.33
SCARB1 Q8WTV0 1/20 0.33
MAP3K12 Q12852 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL4047193 0.87 ATR (0.36) ATRRXRARXRBRXRGIRAK4
SCHEMBL13812030 0.87 GAA (0.39) ATRRXRARXRBRXRGIRAK4
SCHEMBL18370833 0.87 ATR (0.36) ATRRXRARXRBRXRGIRAK4
SCHEMBL5381318 0.84 ATR (0.36) ATRRXRARXRBRXRGIRAK4
SCHEMBL18370091 0.84 AR (0.36) ATRRXRARXRBRXRGIRAK4
SCHEMBL31078942 0.83 MAP3K14 (0.39) ATRRXRARXRBRXRGIRAK4
Lithium Ion SCHEMBL31078608 0.82 IRAK4 (0.36) ATRRXRARXRBRXRGIRAK4
SCHEMBL5375543 0.82 ATR (0.39) ATRRXRARXRBRXRGRET
SCHEMBL5374037 0.81 KDM1A (0.37) ATRRXRARXRBRXRGIRAK4
SCHEMBL5373390 0.81 CSNK1A1 (0.38) ATRRXRARXRBRXRGCYP4F2

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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 ATR 265/4885RXRA 2265/4885RXRB 2226/4885

“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.