SCHEMBL27220351

SCHEMBL27220351

CCOc1nc(N)c(C#N)c(-c2cccc(Br)c2)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ MAPK1 P28482 4/20 0.51
▸ ADORA1 P30542 7/20 0.49
▸ ADORA2A P29274 2/20 0.49
▸ PDE3A Q14432 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SQOR Q9Y6N5 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL26632977 0.87 SQOR (0.52) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL27220349 0.85 KDM4E (0.56) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL28379366 0.85 KDM4E (0.58) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL6442682 0.80 HSD17B10 (0.62) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL27220350 0.78 KDM4E (0.60) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL13914338 0.77 KDM4E (0.56) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL3554077 0.76 ADORA1 (0.78) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL29442309 0.76 SQOR (0.71) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL22215618 0.76 SQOR (0.71) KDM4ESMN1; SMN2RXFP1MAPK1ADORA1
SCHEMBL29666496 0.74 ALDH1A1 (0.62) KDM4EMAPK1ADORA1ADORA2APDE3A

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-11986465-B1 2-amino-4-(4-bromophenyl)-6-ethoxypyridine-3,5-dicarbonitrile as an antibacterial compound King Faisal University (SA) 2024-05-21 — — 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-11986465-B1 2-amino-4-(4-bromophenyl)-6-ethoxypyridine-3,5-dicarbonitrile as an antibacterial compound CASP4, DCUN1D4, DCUN1D5 KDM4E 519/4885SMN1; SMN2 3272/4885RXFP1 4547/4885

“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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