SCHEMBL23629599

SCHEMBL23629599

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(-c2ccncc2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 2/20 0.33
GRIA2 P42262 4/20 0.33
GRIA4 P48058 4/20 0.33
HPGD P15428 3/20 0.32
LMNA P02545 3/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1A O60341 1/20 0.32
ADORA2A P29274 1/20 0.32
DHODH Q02127 1/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 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
SCHEMBL31273257 0.98 KIF11 (0.38) KIF11KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL31272516 0.94 KIF11 (0.39) KIF11KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL31273570 0.92 KIF11 (0.36) KIF11KDM4ENPSR1MAPT
SCHEMBL23629576 0.90 KIF11 (0.41) KIF11KDM4EALDH1A1NPSR1GRIA2
SCHEMBL31273308 0.89 KIF11 (0.36) KIF11KDM4ENPSR1ADORA2AMAPT
SCHEMBL21840841 0.87 SERPINE1 (0.37) KDM4EALDH1A1NPSR1GRIA2GRIA4
SCHEMBL23629593 0.86 KDM1A (0.32) KIF11KDM4EALDH1A1NPSR1GRIA2
SCHEMBL23629583 0.86 KIF11 (0.49) KIF11GRIA2GRIA4KDM1ACYP19A1
SCHEMBL21377974 0.86 PDE9A (0.32) KIF11KDM4EALDH1A1NPSR1GRIA2
SCHEMBL31484641 0.86 KIF11 (0.36) KIF11KDM4EALDH1A1NPSR1HSD17B10

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 3031/4885KDM4E 1054/4885ALDH1A1 666/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP KIF11 3031/4885KDM4E 1054/4885ALDH1A1 666/4885

“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.