SCHEMBL22017776

SCHEMBL22017776

c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c(cc6c5c4)C4(c5ccccc5Sc5ccccc54)c4ccccc4-7)cc3)c3ccccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 2/20 0.44
WHR1 P49842 1/20 0.35
PDK1 Q15118 1/20 0.31
NUDT1 P36639 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ADORA2A P29274 1/20 0.30
THRB P10828 1/20 0.30
PDE5A O76074 1/20 0.30
KDM1A O60341 1/20 0.30
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL24330664 0.95 MEN1 (0.46) KMT2AMEN1ATMWHR1PDK1
SCHEMBL22015169 0.94 MEN1 (0.41) KMT2AMEN1ATMWHR1PDK1
SCHEMBL24330845 0.94 KMT2A (0.37) KMT2AMEN1ATMWHR1GAA
SCHEMBL24330679 0.94 MEN1 (0.43) KMT2AMEN1ATMWHR1PDK1
SCHEMBL24330739 0.94 MEN1 (0.43) KMT2AMEN1ATMWHR1PDK1
SCHEMBL22017828 0.92 KMT2A (0.37) KMT2AMEN1ATMWHR1GAA
SCHEMBL24330102 0.91 KMT2A (0.35) KMT2AMEN1ATMWHR1TLR9
SCHEMBL24330074 0.91 KMT2A (0.36) KMT2AMEN1ATMWHR1MAPT
SCHEMBL24331883 0.91 KMT2A (0.38) KMT2AMEN1ATMWHR1GAA
SCHEMBL24330852 0.91 KMT2A (0.43) KMT2AMEN1ATMWHR1NUDT1

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-20220123225-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-04-21 US disclosed
WO-2020101316-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2020-05-22 WO 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-20220123225-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 KMT2A 794/4885MEN1 343/4885ATM 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.