SCHEMBL22563472

SCHEMBL22563472

Cc1cc(C)nc(-c2cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(C#N)cc2-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HPGD P15428 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 6/20 0.34
GAA P10253 4/20 0.34
GLA P06280 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAT2A P31153 2/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
IMPDH2 P12268 1/20 0.33
S1PR4 O95977 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
SCHEMBL23487721 1.00 ALDH1A1 (0.34) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL22563442 0.93 ALDH1A1 (0.34) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL23487610 0.93 ALDH1A1 (0.34) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL23487338 0.90 KDM4E (0.36) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL19909182 0.89 ALDH1A1 (0.36) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL22563701 0.89 ABCG2 (0.36) CYP1A2CYP2C9CYP2C19NPSR1KDM4E
SCHEMBL19913222 0.89 ALDH1A1 (0.36) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL23487723 0.87 CYP1A2 (0.40) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL22563460 0.86 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19NPSR1KDM4E
SCHEMBL21279072 0.86 KDM4E (0.34) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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 ALDH1A1 80/4885HPGD 1547/4885CYP1A2 600/4885

“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.