SCHEMBL23348397

SCHEMBL23348397

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
SERPINE1 P05121 1/20 0.35
KDM1A O60341 2/20 0.35
PGR P06401 2/20 0.34
CHEK1 O14757 1/20 0.33
PTPN5 P54829 2/20 0.33
ACLY P53396 2/20 0.32
RORC P51449 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PTGER4 P35408 1/20 0.31
AR P10275 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 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
SCHEMBL23348463 0.92 KIF11 (0.36) KIF11SERPINE1KDM1APGRPTPN5
SCHEMBL23348381 0.92 KIF11 (0.43) KIF11KDM1APGRCHEK1PTPN5
SCHEMBL23348458 0.91 PGR (0.38) KIF11SERPINE1PGRPTPN5ACLY
SCHEMBL23348282 0.91 KIF11 (0.44) KIF11SERPINE1KDM1ACHEK1PTPN5
SCHEMBL23348287 0.91 KIF11 (0.40) KIF11SERPINE1KDM1APGRCHEK1
SCHEMBL23348452 0.91 PGR (0.38) KIF11PGRCHEK1ACLYPIK3CD
SCHEMBL23348465 0.88 KIF11 (0.43) KIF11SERPINE1KDM1APGRCHEK1
SCHEMBL23348322 0.88 KIF11 (0.33) KIF11SERPINE1PGRPTPN5
SCHEMBL23348316 0.85 KIF11 (0.39) KIF11SERPINE1PGRPTPN5ACLY
SCHEMBL23348411 0.85 KIF11 (0.36) KIF11SERPINE1KDM1APGRRORC

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 2 patents. 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
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 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 4594/4885KDM1A 1915/4885

“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.