SCHEMBL23629583

SCHEMBL23629583

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccc(C#N)cc2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
KDM1A O60341 3/20 0.40
GRIA4 P48058 10/20 0.36
GRIA2 P42262 7/20 0.36
CYP19A1 P11511 1/20 0.35
AR P10275 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CCR9 P51686 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL24416681 0.95 KIF11 (0.54) KIF11KDM1ACYP19A1CSNK1DCSNK1G2
SCHEMBL23629576 0.93 KIF11 (0.41) KIF11KDM1AGRIA4GRIA2
SCHEMBL26864297 0.92 KIF11 (0.51) KIF11KDM1ACYP19A1CSNK1DCSNK1G2
SCHEMBL23957254 0.91 KIF11 (0.40) KIF11KDM1AGRIA4GRIA2CYP19A1
SCHEMBL24623526 0.89 KIF11 (0.43) KIF11KDM1AARRORC
SCHEMBL21840841 0.88 SERPINE1 (0.37) GRIA4GRIA2RORC
SCHEMBL23957357 0.88 KIF11 (0.40) KIF11KDM1AGRIA4GRIA2
SCHEMBL22036391 0.88 NRP1 (0.39) KIF11GRIA4GRIA2RORC
SCHEMBL23629581 0.86 PTPN1 (0.38) GRIA4GRIA2
SCHEMBL23629586 0.86 GRIA4 (0.41) KIF11KDM1AGRIA4GRIA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-10-22 US disclosed
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 US disclosed
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 US disclosed
EP-3848352-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME Kyushu University, National University Corporation (JP) 2021-07-14 EP 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-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same INTS9, GTF2I, BRI3BP KIF11 3031/4885KDM1A 2392/4885GRIA4 665/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP KIF11 3031/4885KDM1A 2392/4885GRIA4 665/4885

“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.