SCHEMBL19009727

SCHEMBL19009727

Fc1ccc(-c2c3ccccc3c(-c3cc4c(-c5ccccc5)nc5c6ccccc6c6ccccc6c5c4c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 2/20 0.36
SCN9A Q15858 2/20 0.36
GRM2 Q14416 1/20 0.36
MAPK14 Q16539 1/20 0.35
ACHE P22303 1/20 0.35
TOP1 P11387 2/20 0.34
ENPP1 P22413 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL19009710 0.85 ADORA2A (0.43) ADORA2AKDM4ECYP1A2CYP3A4HPGD
SCHEMBL19020501 0.84 ADORA2A (0.37) ADORA2AKDM4EHTTADORA1MAPK14
SCHEMBL19009766 0.82 ALDH1A1 (0.37) KDM4ECYP3A4HPGDNPSR1L3MBTL1
SCHEMBL19009724 0.81 CYP11B1 (0.45) ADORA2AKDM4ECYP1A2CYP3A4HPGD
SCHEMBL17915358 0.78 NUDT1 (0.39) ADORA2AKDM4EHPGDNPSR1L3MBTL1
SCHEMBL19009792 0.77 FFAR2 (0.35) KDM4EHPGDHTTL3MBTL1TDP1
SCHEMBL19009771 0.77 TOP1 (0.33) NPSR1TOP1
SCHEMBL19009728 0.75 ALOX5 (0.40) ADORA2AKDM4ECYP3A4HPGDL3MBTL1
SCHEMBL19009712 0.75 KDM4E (0.38) ADORA2AKDM4ECYP3A4HPGDNPSR1
SCHEMBL19009781 0.75 MEN1 (0.33) ADORA2AKDM4ECYP3A4HPGD

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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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 (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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ADORA2A 4579/4885KDM4E 3813/4885CYP1A2 627/4885

“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.