SCHEMBL25582006

SCHEMBL25582006

CC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#N)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.45
KIF11 P52732 4/20 0.41
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CSNK1D P48730 5/20 0.34
CSNK1G2 P78368 4/20 0.34
CSNK1A1 P48729 1/20 0.34
GSK3B P49841 1/20 0.34
CCR9 P51686 1/20 0.33

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
SCHEMBL25708860 0.90 KIF11 (0.51) PDK2KIF11CSNK1DCSNK1G2CSNK1A1
SCHEMBL30629030 0.87 ALDH1A1 (0.46) KIF11NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL20080425 0.87 PDK2 (0.51) PDK2ALDH1A1KMT2AMAOAMAOB
SCHEMBL28512443 0.87 ALDH1A1 (0.46) KIF11NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL25583842 0.85 KIF11 (0.41) PDK2KIF11CSNK1DCSNK1G2CSNK1A1
SCHEMBL24060811 0.82 ALDH1A1 (0.46) PDK2KIF11NPC1ALDH1A1PLA2G1B
SCHEMBL22895212 0.82 PDK2 (0.55) PDK2ALDH1A1KMT2AMAOAMAOB
SCHEMBL18907228 0.81 PDK2 (0.44) PDK2KIF11ALDH1A1MAOAMAOB
SCHEMBL24617612 0.81 KIF11 (0.47) PDK2KIF11CSNK1DCSNK1G2CSNK1A1
SCHEMBL23624434 0.78 ALDH1A1 (0.39) KIF11NPC1ALDH1A1PLA2G1BNFKB1

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 PDK2 4047/4885KIF11 4420/4885NPC1 2521/4885

“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.