SCHEMBL4897419

SCHEMBL4897419

Cc1ccc(Cn2c(-c3cccc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)c3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.42
NR1H3 Q13133 4/20 0.42
RXRA P19793 3/20 0.42
TNKS O95271 4/20 0.34
TNKS2 Q9H2K2 4/20 0.34
ACLY P53396 1/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL4899624 0.95 NR1H2 (0.41) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4907759 0.90 NR1H2 (0.43) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL5598162 0.89 NR1H2 (0.40) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4908027 0.85 NR1H2 (0.47) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL5598041 0.84 NR1H2 (0.40) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4897626 0.84 RXRA (0.46) NR1H2NR1H3RXRAPOLBMAPT
SCHEMBL4904604 0.83 NR1H2 (0.41) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4907807 0.81 NR1H2 (0.47) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4906529 0.81 NR1H2 (0.48) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4901856 0.80 NR1H2 (0.47) NR1H2NR1H3RXRATNKSTNKS2

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
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 NR1H2 1/4885NR1H3 3/4885RXRA 20/4885

“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.