SCHEMBL3471649

SCHEMBL3471649

COc1cccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PRKACA P17612 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCQ Q04759 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RXRA P19793 2/20 0.51
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
CARM1 Q86X55 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL3472833 0.92 MAPT (0.51) POLBROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL3473455 0.88 SMN1; SMN2 (0.56) POLBMAPTSMN1; SMN2RXRANR1H2
SCHEMBL3471539 0.88 MLYCD (0.53) CYP3A4CYP2D6MAPTRXRANR1H2
SCHEMBL3477754 0.87 NAMPT (0.49) POLBCYP3A4CYP2C9MAPTSMN1; SMN2
SCHEMBL14623694 0.87 PTGS2 (0.48) POLBCYP3A4CYP2C9MAPTSMN1; SMN2
SCHEMBL14623687 0.86 CA1 (0.49) POLBROCK2ROCK1CYP3A4CYP2D6
SCHEMBL3472832 0.86 RPA1 (0.53) CYP2C9MAPTRXRANR1H2NR1H3
SCHEMBL3475775 0.86 RXRA (0.56) POLBMAPTSMN1; SMN2RXRANR1H2
SCHEMBL3473656 0.85 MAPT (0.64) POLBMAPTSMN1; SMN2RXRANR1H2
SCHEMBL3471475 0.85 IDH1 (0.53) CYP2C9MAPTRXRANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 POLB 3735/4885ROCK2 1928/4885ROCK1 1101/4885

“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.