SCHEMBL6825776

SCHEMBL6825776

CN(C)c1cc(-c2cccc(F)c2)nc2ccc3c(ncn3C)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
MAPK14 Q16539 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
TGFBR1 P36897 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
DPP4 P27487 1/20 0.34
TLR8 Q9NR97 1/20 0.33
ACP1 P24666 1/20 0.33
GRIN2B Q13224 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL6825775 0.86 MAP4K4 (0.40) MAP4K4IKBKBCHUKMAPK14KDM4C
SCHEMBL6825733 0.83 MAP4K4 (0.46) MAP4K4IKBKBCHUKMAPK14KDM4C
SCHEMBL6825658 0.82 CYP2A6 (0.43)
SCHEMBL6827724 0.75 KDM4E (0.39) MAP4K4BCHEACHEKDM5BPDGFRB
SCHEMBL6825688 0.74 MAP4K4 (0.37) MAP4K4PIM1
SCHEMBL4825593 0.71 ACP1 (0.57) BCHEACHEACP1
SCHEMBL4025078 0.69 RXFP1 (0.42) MAP4K4ACP1
SCHEMBL6822491 0.69 MAPK1 (0.41) DPP4
SCHEMBL4823424 0.69 MAP4K4 (0.43) MAP4K4ACHEACP1
SCHEMBL4031738 0.69 DHODH (0.45) MAP4K4ACP1PIM1

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 4 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

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 3740/4885IKBKB 2214/4885CHUK 1786/4885

“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.