SCHEMBL22563372

SCHEMBL22563372

Cc1cc(C)nc(-c2c(-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.34
AR P10275 1/20 0.34
TRPA1 O75762 1/20 0.33
PTGER4 P35408 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CHEK1 O14757 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
SMYD2 Q9NRG4 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
ELANE P08246 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL22563444 0.97 AR (0.36) ABCG2ARTRPA1MEN1KMT2A
SCHEMBL22563078 0.92 PTGER4 (0.35) ARTRPA1PTGER4MEN1KMT2A
SCHEMBL22563455 0.91 GABRA1 (0.39) ABCG2TRPA1PTGER4MEN1KMT2A
SCHEMBL19909383 0.91 AR (0.35) ARTRPA1PTGER4MEN1KMT2A
SCHEMBL22268532 0.89 CYP11B1 (0.35) ABCG2ARTRPA1PTGER4MEN1
SCHEMBL22563587 0.89 ABCG2 (0.36) ABCG2PTGER4MEN1KMT2AATM
SCHEMBL22563500 0.89 ABCG2 (0.41) ABCG2PTGER4MEN1KMT2AATM
SCHEMBL22562984 0.89 AR (0.36) ARTRPA1PTGER4MEN1KMT2A
SCHEMBL22563477 0.88 PTGER4 (0.35) ABCG2PTGER4MEN1KMT2AATM
SCHEMBL23487284 0.88 GABRA1 (0.41) ABCG2TRPA1MEN1KMT2ANR3C1

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 ABCG2 2612/4885AR 4552/4885TRPA1 27/4885

“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.