SCHEMBL23348403

SCHEMBL23348403

CC(C)(C)c1ccc2c(c1)c1ccc(C(C)(C)C)cc1n2-c1cc(F)cc(-n2c3ccc(C(C)(C)C)cc3c3ccc(C(C)(C)C)cc32)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
KCNQ1 P51787 1/20 0.32
CACNA1C Q13936 1/20 0.32
HTR1D P28221 1/20 0.32
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
KIF11 P52732 2/20 0.31
DHODH Q02127 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
SCHEMBL23348444 0.93 KCNH2 (0.32) KCNH2KIF11
SCHEMBL23348543 0.89 KCNH2 (0.36) KCNH2KCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL23348322 0.89 KIF11 (0.33) PGRKIF11
SCHEMBL23348315 0.88 KIF11 (0.38) KCNH2HTR1DRAPGEF3RAPGEF4PGR
SCHEMBL23348299 0.88 HTR1D (0.32) KCNH2HTR1DPGRARKIF11
SCHEMBL23348503 0.87 DHODH (0.33) KCNH2HTR1DRAPGEF3RAPGEF4PGR
SCHEMBL22156390 0.87 KCNH2 (0.35) KCNH2HTR1DRAPGEF3RAPGEF4PGR
SCHEMBL23348405 0.86 ALDH1A1 (0.36) KCNJ5KCNJ3KCNQ1CACNA1CHTR1D
SCHEMBL22158353 0.86 KIF11 (0.36) KCNJ5KCNJ3KCNQ1CACNA1CKIF11
SCHEMBL22156523 0.85 KIF11 (0.31) 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-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 KCNH2 143/4885KCNJ5 2373/4885KCNJ3 1897/4885

“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.