SCHEMBL3969725

SCHEMBL3969725

Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)Oc1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35
MGLL Q99685 1/20 0.35
DHFR P00374 1/20 0.35
FGFR1 P11362 2/20 0.35
SCN9A Q15858 1/20 0.34
PIK3CA P42336 2/20 0.34
MAPT P10636 1/20 0.33
PIK3CD O00329 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RPS6KB1 P23443 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL4075958 0.91 KDM4E (0.38) SOS1IDO1TDO2IDO2FGFR1
SCHEMBL13881922 0.88 FGFR1 (0.38) IDO1TDO2IDO2FGFR1MAPT
SCHEMBL4137225 0.86 F10 (0.41) IDO1TDO2IDO2SCN9AMAPT
SCHEMBL3966950 0.86 IDO1 (0.35) IDO1TDO2IDO2FGFR1MAPT
SCHEMBL3970595 0.86 IDO1 (0.36) SOS1IDO1TDO2IDO2MAPT
SCHEMBL4143703 0.84 FGFR1 (0.39) IDO1TDO2IDO2FGFR1MAPT
SCHEMBL4139178 0.84 APP (0.41) IDO1TDO2IDO2FGFR1PIK3CA
SCHEMBL4071227 0.83 IDO1 (0.40) IDO1TDO2IDO2FGFR1PIK3CA
SCHEMBL13881532 0.83 IDO1 (0.38) IDO1TDO2IDO2FGFR1PIK3CA
SCHEMBL3971049 0.83 FGFR1 (0.41) IDO1TDO2IDO2FGFR1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO claimed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US claimed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 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-20090088441-A1 Quinoline Compounds GABRB1, HRH2, GABRA5 SOS1 2662/4885IDO1 996/4885TDO2 2448/4885

“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.