SCHEMBL21453410

SCHEMBL21453410

CC(C)(C)c1cc(C#N)ncc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.39
CHEK1 O14757 4/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
PGR P06401 1/20 0.34
CSNK1A1 P48729 1/20 0.32

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
SCHEMBL25144387 0.84 GABRP (0.36) ARCHEK1GABRPGABRDGABRA1
SCHEMBL22543793 0.81 AR (0.39) ARPGRCSNK1A1CLK4CDK1
SCHEMBL15429536 0.79 AR (0.38) ARCSNK1A1CLK4KDR
SCHEMBL1998520 0.74 GABRP (0.40) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL2153499 0.74 ALDH1A1 (0.38) ARPGR
SCHEMBL21927619 0.74 EGLN2 (0.41) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL20888088 0.73 LMNA (0.41) CHEK1
SCHEMBL21259316 0.72 AR (0.36) AR
SCHEMBL24228131 0.69 EGLN2 (0.38) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL23776935 0.69 ALDH1A1 (0.38) AR

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 AR 4080/4885CHEK1 3647/4885GABRP 4342/4885

“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.