SCHEMBL2268418

SCHEMBL2268418

CCNC(=O)Nc1cccc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 5/20 0.43
KDR P35968 5/20 0.43
RXRA P19793 2/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
PIK3R2 O00459 2/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MCHR1 Q99705 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2261947 0.89 RXRA (0.45) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2262959 0.88 F2R (0.47) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2264370 0.88 RXRA (0.46) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2261959 0.87 RXRA (0.45) FGFR3KDRRXRANR1H2NR1H3
SCHEMBL2264954 0.87 MGLL (0.45) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2261173 0.86 KCNK3 (0.46) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL4904313 0.84 RXRA (0.42) FGFR3KDRRXRANR1H2NR1H3
SCHEMBL2261466 0.84 RXRA (0.51) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2264003 0.83 RXRA (0.48) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2263841 0.83 RXRA (0.47) RXRANR1H2NR1H3KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 FGFR3 1748/4885KDR 2400/4885RXRA 16/4885

“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.