SCHEMBL22170441

SCHEMBL22170441

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4)cc32)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PTGER4 P35408 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
USP14 P54578 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ELANE P08246 1/20 0.32
RORC P51449 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
SCHEMBL19909097 0.96 CHEK1 (0.39) CHEK1MEN1KMT2AATMPTGER4
SCHEMBL19919816 0.94 CHEK1 (0.37) CHEK1MEN1KMT2AATMPTGER4
SCHEMBL19909528 0.94 CYP1A2 (0.38) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19909094 0.93 IRAK4 (0.32) PTGER4CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19913237 0.93 MAOA (0.34) CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19909516 0.92 PTGER4 (0.35) PTGER4ABCG2CYP1A2CYP2C9CYP2C19
SCHEMBL19919714 0.92 ADORA2A (0.37) MEN1KMT2AABCG2CYP1A2CYP2C9
SCHEMBL19909514 0.91 CYP1A2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19919756 0.91 STS (0.35) MEN1KMT2AATMPTGER4
SCHEMBL23487291 0.91 ABCG2 (0.37) CHEK1MEN1KMT2AATMPTGER4

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 CHEK1 3673/4885MEN1 3205/4885KMT2A 4771/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 CHEK1 3673/4885MEN1 3205/4885KMT2A 4771/4885

“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.