SCHEMBL31663577

SCHEMBL31663577

Cc1cc(-c2cccc(C#N)c2)cc(C)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.50
GRM5 P41594 2/20 0.48
F11 P03951 1/20 0.48
PIN1 Q13526 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA2B P29275 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
EGLN2 Q96KS0 1/20 0.46

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
SCHEMBL5604793 1.00 CLK4 (0.53) CLK4ABCG2GRM5F11PIN1
SCHEMBL5561984 0.86 CTSS (0.49) CLK4ABCG2GRM5F11PIN1
SCHEMBL19531877 0.86 KDM5A (0.46) CLK4ABCG2GRM5F11PIN1
SCHEMBL19531873 0.86 SYK (0.44) CLK4ABCG2GRM5F11PIN1
SCHEMBL5557478 0.83 KDM5A (0.53) CLK4ABCG2GABRA1GABRG2GABRB3
SCHEMBL4775928 0.83 F11 (0.54) ABCG2GRM5F11PIN1
SCHEMBL14072794 0.82 CLK4 (0.59) CLK4GRM5GABRG2GABRB3GABRA5
SCHEMBL2154026 0.82 CLK4 (0.65) CLK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL16201554 0.81 CLK4 (0.52) CLK4GRM5GABRA1GABRG2GABRB3
SCHEMBL27787243 0.80 CLK4 (0.63) CLK4GABRA1GABRG2GABRB3GABRA5

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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2025-11-20 US disclosed
US-12369492-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2025-07-22 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 (2 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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CLK4 3729/4885ABCG2 75/4885GRM5 476/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 CLK4 3729/4885ABCG2 75/4885GRM5 476/4885

“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.