SCHEMBL21935643

SCHEMBL21935643

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc6c(-c7ccccc7)nc7ccccc7c56)c4)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
NUDT1 P36639 3/20 0.41
ADORA2A P29274 2/20 0.41
WHR1 P49842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NR1I3 Q14994 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
VDR P11473 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
AHR P35869 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
DHODH Q02127 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL21934894 1.00 MEN1 (0.46) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21934895 0.99 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21934454 0.99 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21934891 0.97 MEN1 (0.50) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21933717 0.97 MEN1 (0.50) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21934892 0.97 MEN1 (0.50) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21933718 0.97 MEN1 (0.50) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21933724 0.97 MEN1 (0.49) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21934171 0.96 MEN1 (0.46) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21933713 0.96 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 MEN1 343/4885KMT2A 794/4885ATM 3263/4885

“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.