SCHEMBL23348408

SCHEMBL23348408

CC(C)(C)c1ccc2c(c1)c1ccc(-c3ccccc3)cc1n2-c1cc(C#N)cc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4ccccc4)cc32)c1-c1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
PTPN5 P54829 1/20 0.34
SERPINE1 P05121 2/20 0.33
ACLY P53396 3/20 0.32
PGR P06401 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL23348413 0.92 KIF11 (0.35) KIF11PTPN5SERPINE1ACLYPGR
SCHEMBL23348332 0.91 KIF11 (0.32) KIF11
SCHEMBL23348472 0.91 PGR (0.35) KIF11PTPN5ACLYPGR
SCHEMBL23348287 0.90 KIF11 (0.40) KIF11PTPN5SERPINE1PGRRXRA
SCHEMBL23348463 0.89 KIF11 (0.36) KIF11PTPN5SERPINE1ACLYPGR
SCHEMBL23348316 0.89 KIF11 (0.39) KIF11PTPN5SERPINE1ACLYPGR
SCHEMBL22156840 0.89 RORC (0.35) KIF11PGR
SCHEMBL22156823 0.89 PGR (0.38) KIF11PTPN5ACLYPGR
SCHEMBL22156846 0.89 KIF11 (0.35) KIF11PGR
SCHEMBL23348458 0.88 PGR (0.38) KIF11PTPN5SERPINE1ACLYPGR

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 1724/4885PTPN5 4876/4885SERPINE1 4594/4885

“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.