SCHEMBL22017774

SCHEMBL22017774

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4Sc4ccccc43)c3ccccc3-6)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ATM Q13315 2/20 0.38
WHR1 P49842 1/20 0.36
TLR9 Q9NR96 1/20 0.33
ALDH1A1 P00352 4/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL24331883 1.00 KMT2A (0.38) KMT2AMEN1ATMWHR1TLR9
SCHEMBL22017828 0.99 KMT2A (0.37) KMT2AMEN1ATMWHR1TLR9
SCHEMBL24330276 0.97 KMT2A (0.36) KMT2AMEN1ATMWHR1TLR9
SCHEMBL24330845 0.97 KMT2A (0.37) KMT2AMEN1ATMWHR1TLR9
SCHEMBL24330102 0.96 KMT2A (0.35) KMT2AMEN1ATMWHR1TLR9
SCHEMBL22015165 0.94 WHR1 (0.36) KMT2AMEN1ATMWHR1TLR9
SCHEMBL24331881 0.93 KMT2A (0.36) KMT2AMEN1ATMWHR1TLR9
SCHEMBL22017773 0.93 KMT2A (0.36) KMT2AMEN1ATMWHR1TLR9
SCHEMBL22015130 0.93 WHR1 (0.35) KMT2AMEN1ATMWHR1ALDH1A1
SCHEMBL24330909 0.93 WHR1 (0.37) KMT2AMEN1ATMWHR1ALDH1A1

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.