SCHEMBL22563563

SCHEMBL22563563

Cc1ccc2c3ccccc3n(-c3cc(C#N)c(-c4nc(C)cc(C)n4)cc3-n3c4ccccc4c4ccc(C)cc43)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36
HTT P42858 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
CTRB1 P17538 1/20 0.34
HPGD P15428 2/20 0.33
IMPDH2 P12268 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL22563565 0.94 PKM (0.33) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL23487338 0.93 KDM4E (0.36) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL23487650 0.91 MAOA (0.33) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL19942745 0.91 GRM2 (0.37) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL23487353 0.90 GRM2 (0.35) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL23487610 0.90 ALDH1A1 (0.34) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL22563693 0.90 ABCG2 (0.36) KDM4EIMPDH2SLC22A12MAT2AFFAR1
SCHEMBL22563442 0.90 ALDH1A1 (0.34) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL23487356 0.89 AR (0.37) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL19909138 0.88 GRM2 (0.37) GRM2KDM4EALDH1A1GLAGAA

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 GRM2 1100/4885KDM4E 4619/4885ALDH1A1 80/4885

“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.