SCHEMBL24663015

SCHEMBL24663015

S=c1nc(-c2ccccc2)nc2[nH]c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3n12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADORA3 P0DMS8 3/20 0.31
▸ ATM Q13315 2/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TTK P33981 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ NR1I3 Q14994 1/20 0.30
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 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
SCHEMBL23076319 0.81 ADORA3 (0.39) RXFP1ALDH1A1GAAPOLBADORA3
SCHEMBL23076032 0.80 RXFP1 (0.44) RXFP1ALDH1A1ADORA3ATMMEN1
SCHEMBL23076031 0.79 ADORA3 (0.43) RXFP1ALDH1A1GAAPOLBADORA3
SCHEMBL24663217 0.75 KDM4E (0.36) ATMKDM4EMEN1KMT2ANPC1
SCHEMBL23076415 0.74 ADORA2B (0.35) GAAMEN1KMT2ALMNA
SCHEMBL23076318 0.71 MAPT (0.40) RXFP1ALDH1A1GAAPOLBATM
SCHEMBL17425652 0.71 MEN1 (0.47) ALDH1A1JAK2POLBADORA3ATM
SCHEMBL29500540 0.71 MEN1 (0.47) ALDH1A1POLBADORA3ATMKDM4E
SCHEMBL16641373 0.71 MEN1 (0.47) ALDH1A1POLBADORA3ATMKDM4E
SCHEMBL29776774 0.71 MEN1 (0.47) ALDH1A1POLBADORA3ATMKDM4E

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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-09-29 — — 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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM PGR 2594/4885RXFP1 4845/4885ALDH1A1 473/4885

“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.

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