SCHEMBL21965503

SCHEMBL21965503

c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPY5R Q15761 1/20 0.32
GAA P10253 1/20 0.31
WHR1 P49842 1/20 0.30
ADORA2A P29274 1/20 0.30
NUDT1 P36639 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
SCHEMBL23972186 0.92 MEN1 (0.32) KMT2AATMMEN1ALDH1A1HPGD
SCHEMBL21965526 0.92 TNKS (0.32) MAPTNPY5R
SCHEMBL21965518 0.92 TNKS (0.32) MAPTNPY5R
SCHEMBL18542842 0.90 PTGER4 (0.32) KMT2AATMMEN1KDM4EL3MBTL1
SCHEMBL18505501 0.90 ALDH1A1 (0.41) KMT2AATMMEN1ALDH1A1HPGD
SCHEMBL18505505 0.90 ALDH1A1 (0.41) KMT2AATMMEN1ALDH1A1HPGD
SCHEMBL8815486 0.90 ALDH1A1 (0.37) KMT2AATMMEN1ALDH1A1HPGD
SCHEMBL15497565 0.89 ALDH1A1 (0.43) KMT2AATMMEN1ALDH1A1HPGD
SCHEMBL18505465 0.89 ALDH1A1 (0.45) KMT2AATMMEN1ALDH1A1HPGD
SCHEMBL15499468 0.87 ALOX5 (0.42) KMT2AATMMEN1ALDH1A1HPGD

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-20200144512-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-05-07 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-20200144512-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES GDA, SOD1, GALC KMT2A 4198/4885ATM 1867/4885MEN1 3611/4885

“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.