SCHEMBL21188802

SCHEMBL21188802

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.37
▸ GRM5 P41594 5/20 0.33
▸ TNKS O95271 1/20 0.33
▸ CLK4 Q9HAZ1 3/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP3A4 P08684 2/20 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
SCHEMBL19037913 0.93 TNKS (0.32) PGRTNKSALOX5ALDH1A1LMNA
SCHEMBL19038171 0.92 TNKS (0.33) PGRTNKSADORA2AALOX5ALDH1A1
SCHEMBL19037932 0.91 TNKS (0.35) TNKSADORA2AALOX5
SCHEMBL19038179 0.90 TNKS (0.36) TNKSADORA2AALOX5
SCHEMBL21189059 0.90 PGR (0.37) PGRGRM5TNKSCLK4CSNK2A2
SCHEMBL21546907 0.90 PGR (0.37) PGRGRM5TNKSCLK4CSNK2A2
SCHEMBL18963122 0.90 CYP1A2 (0.39) PGRCLK4CSNK2A2CSNK2BCSNK2A1
SCHEMBL21188967 0.89 PGR (0.36) PGRGRM5TNKSCLK4CSNK2A2
SCHEMBL19702105 0.89 TNKS (0.34) PGRTNKSALOX5ALDH1A1LMNA
SCHEMBL19710990 0.89 TNKS (0.34) PGRTNKSALOX5ALDH1A1LMNA

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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-25 — — 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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNT1, CCND2 PGR 1160/4885GRM5 3006/4885TNKS 2736/4885

“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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