SCHEMBL3781453

SCHEMBL3781453

Cc1cccc(-c2cccc(N)c2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.50
MAOA P21397 1/20 0.48
CD44 P16070 1/20 0.45
BRD4 O60885 1/20 0.42
RECQL P46063 2/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
TSHR P16473 1/20 0.42
HTR7 P34969 1/20 0.42
MAOB P27338 1/20 0.42
PLA2G7 Q13093 1/20 0.42
ANPEP P15144 1/20 0.41
DPP4 P27487 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29526311 0.86 HTR7 (0.56) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL1037202 0.86 HTR7 (0.56) MAP4K4MAOABRD4RECQLCYP3A4
Hydrochloric Acid SCHEMBL21879622 0.84 HTR7 (0.54) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL28072499 0.84 MAP4K4 (0.49) MAP4K4CD44CYP3A4TSHRHTR7
SCHEMBL30434443 0.84 MAP4K4 (0.49) MAP4K4CD44CYP3A4TSHRHTR7
SCHEMBL27336144 0.82 MAOA (0.52) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL27336136 0.82 MAOA (0.57) MAP4K4MAOABRD4HTR7PLA2G7
SCHEMBL9677424 0.82 PLA2G7 (0.52) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL27849965 0.82 CD44 (0.46) MAP4K4CD44BRD4CYP3A4TSHR
SCHEMBL1497244 0.81 ALDH1A1 (0.50) MAP4K4CD44CYP3A4TSHRHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAP4K4 3704/4885MAOA 348/4885CD44 4873/4885

“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.