SCHEMBL21399722

SCHEMBL21399722

N#Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.32
MAT2A P31153 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
CTSK P43235 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21399413 0.96 KIF11 (0.34) KIF11PTGDR2MAT2APPARGPPARA
SCHEMBL20848715 0.92 CYP2C9 (0.31) KIF11PTGDR2
SCHEMBL22985490 0.92 ALOX5AP (0.34) KIF11PTGDR2
SCHEMBL20849538 0.91 PGR (0.32) KDM4EATML3MBTL1
SCHEMBL22985228 0.90 ALOX5AP (0.34) KIF11PTGDR2
SCHEMBL22985520 0.90 ALOX5AP (0.35) KIF11PTGDR2
SCHEMBL20848805 0.90 EDNRB (0.32) KIF11PTGDR2
SCHEMBL20848548 0.89 PDPK1 (0.31)
SCHEMBL19047817 0.89 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL20848508 0.88 KIF11 (0.30) KIF11

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 KIF11 4281/4885PTGDR2 1288/4885MAT2A 3654/4885

“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.