SCHEMBL22170385

SCHEMBL22170385

N#Cc1cc(-c2ccncc2)c(-n2c3ccccc3c3ccc(-c4ccccc4-c4ccccc4)cc32)cc1-n1c2ccccc2c2ccc(-c3ccccc3-c3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.37
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
PIK3CA P42336 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HIF1A Q16665 1/20 0.35
IMPDH2 P12268 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
BLM P54132 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL19913331 0.96 SQOR (0.40) SQORCYP2C19CYP1A2CYP2C9PIK3CA
SCHEMBL20924032 0.90 PDE10A (0.38) SQORCYP2C19CYP1A2CYP2C9PIK3CA
SCHEMBL19909482 0.90 IMPDH2 (0.41) SQORCYP2C19CYP1A2CYP2C9PIK3CA
SCHEMBL20923088 0.89 PIK3CA (0.41) SQORCYP2C19CYP1A2CYP2C9PIK3CA
SCHEMBL19919823 0.89 SQOR (0.40) SQORCYP2C19CYP1A2CYP2C9NPSR1
SCHEMBL19913123 0.89 TRPA1 (0.41) SQORCYP2C19CYP1A2LMNAHPGD
SCHEMBL19913326 0.89 SQOR (0.40) SQORCYP2C19CYP1A2CYP2C9PIK3CA
SCHEMBL20923721 0.88 TRPA1 (0.39) SQORCYP2C19CYP1A2CYP2C9NPSR1
SCHEMBL20923190 0.88 AR (0.38) SQORCYP2C19CYP1A2CYP2C9PIK3CA
SCHEMBL31273101 0.88 PIK3CA (0.44) SQORCYP2C19CYP1A2CYP2C9PIK3CA

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-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 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 (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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 SQOR 1580/4885CYP2C19 145/4885CYP1A2 344/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 SQOR 1580/4885CYP2C19 145/4885CYP1A2 344/4885

“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.