SCHEMBL23348406

SCHEMBL23348406

CC(C)(C)c1ccc2c(c1)c1ccc(C(C)(C)C)cc1n2-c1cc(C#N)cc(-n2c3ccc(C(C)(C)C)cc3c3ccc(C(C)(C)C)cc32)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
CSNK1D P48730 5/20 0.32
CSNK1G2 P78368 5/20 0.32
RORC P51449 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR1D P28221 1/20 0.32
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
CSNK1A1 P48729 1/20 0.30
GSK3B P49841 1/20 0.30
CYP19A1 P11511 1/20 0.30
CCR9 P51686 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
SCHEMBL23348544 0.89 KIF11 (0.48) KIF11CSNK1DCSNK1G2RORCCYP19A1
SCHEMBL23348316 0.89 KIF11 (0.39) KIF11RORC
SCHEMBL23348503 0.87 DHODH (0.33) KIF11KCNH2HTR1DRAPGEF3RAPGEF4
SCHEMBL22156444 0.86 KIF11 (0.36) KIF11CSNK1DCSNK1G2
SCHEMBL23348327 0.86 KIF11 (0.35) KIF11KCNH2RAPGEF3RAPGEF4
SCHEMBL23348332 0.86 KIF11 (0.32) KIF11CSNK1DCSNK1G2RORCHTR1D
SCHEMBL23348383 0.86 KIF11 (0.38) KIF11CSNK1DKCNH2RAPGEF3RAPGEF4
SCHEMBL22156681 0.84 KIF11 (0.36) KIF11CSNK1DCSNK1G2KCNH2HTR1D
SCHEMBL23348329 0.83 EGLN2 (0.33) KIF11CSNK1DCSNK1G2RORCHTR1D
SCHEMBL22156443 0.83 KIF11 (0.36) KIF11RORC

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 1724/4885CSNK1D 1514/4885CSNK1G2 2916/4885

“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.