SCHEMBL22113705

SCHEMBL22113705

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5c34)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ATM Q13315 1/20 0.61
NUDT1 P36639 3/20 0.42
ADORA2A P29274 3/20 0.42
WHR1 P49842 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
PDE5A O76074 3/20 0.39
ABCG2 Q9UNQ0 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HCRTR1 O43613 1/20 0.37
PDK1 Q15118 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
SCHEMBL22113559 0.92 MEN1 (0.52) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22700339 0.92 MEN1 (0.52) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22113795 0.92 MEN1 (0.52) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22700368 0.91 MEN1 (0.54) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22113780 0.91 MEN1 (0.53) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22700296 0.91 MEN1 (0.51) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL18314544 0.90 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22113707 0.90 MEN1 (0.50) MEN1KMT2AATMADORA2AWHR1
SCHEMBL22113778 0.89 MEN1 (0.49) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL24741101 0.88 MEN1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2023-12-12 US disclosed
US-20200190069-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-06-18 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 (2 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-11840538-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 MEN1 342/4885KMT2A 1637/4885ATM 3866/4885
US-20200190069-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CRY1, CRY2, CYP1A1 MEN1 344/4885KMT2A 884/4885ATM 3654/4885

“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.