SCHEMBL25582011

SCHEMBL25582011

CC(C)(C)c1ccc2c(ccc3cc(C#N)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.52
CSNK1D P48730 6/20 0.43
CSNK1G2 P78368 5/20 0.43
CSNK1A1 P48729 1/20 0.43
GSK3B P49841 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
NR1I2 O75469 1/20 0.42
CCR9 P51686 1/20 0.41
NCEH1 Q6PIU2 2/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
EPHX2 P34913 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
CYP2A6 P11509 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL19798867 0.91 KIF11 (0.57) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL19656644 0.89 KIF11 (0.55) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL13037656 0.82 CA2 (0.55) CA1CA2NCEH1CYP1A1CYP1A2
SCHEMBL12320904 0.80 CA2 (0.53) CA1CA2NCEH1CYP1A1CYP1A2
SCHEMBL12310183 0.80 CA2 (0.53) CA1CA2NCEH1CYP1A1CYP1A2
SCHEMBL12317665 0.78 CA1 (0.52) CA1CA2NCEH1CYP1A1CYP1A2
SCHEMBL24617136 0.77 KIF11 (0.70) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL18118556 0.77 KIF11 (0.70) KIF11
SCHEMBL12317667 0.77 CA1 (0.50) CA1CA2NCEH1CYP1A1CYP1A2
SCHEMBL28174467 0.77 CA1 (0.50) CA1CA2NCEH1CYP1A1CYP1A2

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-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-15 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-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE CNOT1, NXF1, NR2E1 KIF11 4420/4885CSNK1D 1238/4885CSNK1G2 468/4885

“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.