SCHEMBL22563460

SCHEMBL22563460

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(C(C)(C)C)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C(C)(C)C)cc32)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC22A12 Q96S37 3/20 0.32
KIF11 P52732 2/20 0.32
MAT2A P31153 1/20 0.31
IMPDH2 P12268 1/20 0.31
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL23487720 0.96 CSNK1D (0.31) KDM4E
SCHEMBL22563600 0.94 SLC22A12 (0.32) CYP1A2CYP2C9CYP2C19NPSR1SLC22A12
SCHEMBL19942754 0.92 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19NPSR1SLC22A12
SCHEMBL22563707 0.91 KIF11 (0.43) CYP1A2CYP2C9CYP2C19KIF11MAT2A
SCHEMBL19909170 0.89 NPSR1 (0.32) CYP1A2CYP2C9CYP2C19NPSR1SLC22A12
SCHEMBL22563601 0.88 CSNK1D (0.32) CYP1A2CYP2C19NPSR1KDM4E
SCHEMBL21108052 0.87 ALDH1A1 (0.33)
SCHEMBL23487338 0.87 KDM4E (0.36) CYP1A2CYP2C9CYP2C19NPSR1SLC22A12
SCHEMBL21279110 0.87 SLC22A12 (0.31) SLC22A12KIF11MAT2AKDM4E
SCHEMBL22563711 0.86 KIF11 (0.39) CYP1A2CYP2C9CYP2C19KIF11MAT2A

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 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 (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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 CYP1A2 600/4885CYP2C9 336/4885CYP2C19 421/4885

“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.