SCHEMBL6822495

SCHEMBL6822495

CNc1cc(-c2cccc(F)c2)nc2ccc3sc(C)nc3c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.44
ABCG2 Q9UNQ0 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
ACP1 P24666 1/20 0.34

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
SCHEMBL6826494 0.85 MAP4K4 (0.39) MAP4K4MAPTL3MBTL1KDM4EMEN1
SCHEMBL6825688 0.83 MAP4K4 (0.37) MAP4K4MAPTL3MBTL1KDM4EMEN1
SCHEMBL6825498 0.82 PIK3CA (0.39) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL6825733 0.75 MAP4K4 (0.46) MAP4K4ABCG2MAOBACP1
SCHEMBL4816411 0.71 ABCG2 (0.52) MAP4K4ABCG2MAOBMEN1KMT2A
SCHEMBL4031373 0.71 ABCG2 (0.52) MAP4K4ABCG2MAOBMEN1KMT2A
SCHEMBL4823113 0.70 ABCG2 (0.48) MAP4K4ABCG2MAOBMAPTKDM4E
SCHEMBL4028750 0.70 ABCG2 (0.48) MAP4K4ABCG2MAOBMAPTKDM4E
SCHEMBL4025363 0.70 ABCG2 (0.48) MAP4K4ABCG2MAOBMEN1KMT2A
SCHEMBL28015705 0.69 KDM4E (0.38) MAPTKDM4EMEN1KMT2ANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214833-A1 Tricyclic heteroaromatic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-28 US claimed
WO-2004089950-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-21 WO claimed
US-20040214833-A1 Tricyclic heteroaromatic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-28 US disclosed
WO-2004089950-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-21 WO disclosed
WO-2004089950-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-21 WO 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-20040214833-A1 Tricyclic heteroaromatic compounds CYP1A1, SULT2A1, CYP1B1 MAP4K4 3740/4885ABCG2 105/4885MAOB 164/4885

“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.