SCHEMBL23348463

SCHEMBL23348463

CC(C)(C)c1ccc2c(c1)c1ccc(-c3ccccc3)cc1n2-c1cc(C#N)cc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4ccccc4)cc32)c1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
SERPINE1 P05121 2/20 0.35
PGR P06401 2/20 0.34
PTPN5 P54829 1/20 0.33
KCNH2 Q12809 1/20 0.32
GRIA2 P42262 3/20 0.32
GRIA4 P48058 3/20 0.32
MAPK14 Q16539 2/20 0.31
NR3C1 P04150 1/20 0.31
KDM1A O60341 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
GRM5 P41594 1/20 0.31
ACLY P53396 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL23348287 0.95 KIF11 (0.40) KIF11SERPINE1PGRPTPN5GRIA2
SCHEMBL23348458 0.93 PGR (0.38) KIF11SERPINE1PGRPTPN5GRIA2
SCHEMBL23348397 0.92 KIF11 (0.41) KIF11SERPINE1PGRPTPN5KDM1A
SCHEMBL23348383 0.92 KIF11 (0.38) KIF11PGRKCNH2MAPK14KDM1A
SCHEMBL23348451 0.91 PGR (0.38) SERPINE1PGRGRIA2GRIA4MAPK14
SCHEMBL23348316 0.90 KIF11 (0.39) KIF11SERPINE1PGRPTPN5ACLY
SCHEMBL23348411 0.90 KIF11 (0.36) KIF11SERPINE1PGRKDM1A
SCHEMBL23348408 0.89 KIF11 (0.35) KIF11SERPINE1PGRPTPN5ACLY
SCHEMBL23348282 0.87 KIF11 (0.44) KIF11SERPINE1PTPN5GRIA2GRIA4
SCHEMBL23348467 0.85 PGR (0.34) PGRGRIA2GRIA4ACLYGABRG2

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-20210139425-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-13 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-20210139425-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CCND2, CCND1, CRY1 KIF11 1724/4885SERPINE1 4594/4885PGR 2039/4885

“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.