SCHEMBL21934839

SCHEMBL21934839

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc6nc(-c7ccccc7)c7cccc(-c8ccccc8)c7c6c5)c4)n3)cc2)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
WHR1 P49842 1/20 0.40
PIK3CA P42336 3/20 0.38
ADORA2A P29274 3/20 0.38
NUDT1 P36639 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
DHODH Q02127 2/20 0.35
TRIM58 Q8NG06 1/20 0.35
PIK3R1 P27986 1/20 0.35
NT5E P21589 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL21934830 1.00 MEN1 (0.46) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21934258 1.00 MEN1 (0.46) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21933785 1.00 MEN1 (0.46) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21933786 1.00 MEN1 (0.46) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21935659 1.00 MEN1 (0.46) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21934533 1.00 MEN1 (0.46) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21934262 0.99 MEN1 (0.43) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21935024 0.99 MEN1 (0.43) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21934765 0.99 KMT2A (0.47) MEN1KMT2AATMWHR1PIK3CA
SCHEMBL21934392 0.99 MEN1 (0.47) MEN1KMT2AATMWHR1PIK3CA

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.