SCHEMBL3789865

SCHEMBL3789865

CCSc1cc(-c2cccc(N)c2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAP4K4 O95819 6/20 0.45
CYP3A4 P08684 3/20 0.41
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3781489 0.87 MAOA (0.46) MAOAMAP4K4CYP3A4CYP17A1CYP19A1
SCHEMBL3785440 0.86 MEN1 (0.47) MAOAMAP4K4CYP3A4MEN1KMT2A
SCHEMBL3783410 0.84 AAK1 (0.44) CYP3A4MEN1KMT2ATP53KDM4E
SCHEMBL3794218 0.81 MAOA (0.50) MAOAMAP4K4CYP3A4CYP17A1CYP19A1
SCHEMBL5166565 0.80 MAPT (0.40) CYP3A4MEN1KMT2ATP53KDM4E
SCHEMBL3789813 0.79 MAOA (0.53) MAOAMAP4K4CYP3A4CYP17A1CYP19A1
SCHEMBL3789215 0.79 MAOA (0.40) MAOAMAP4K4CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL8948328 0.78 GAA (0.43) CYP3A4MEN1KMT2ATP53KDM4E
SCHEMBL3789234 0.77 PTGS2 (0.50) MAOAMAP4K4CYP3A4CYP17A1CYP19A1
SCHEMBL3808526 0.77 MAOA (0.46) MAOAMAP4K4KDM4EALDH1A1MAPT

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 MAOA 348/4885MAP4K4 3704/4885CYP3A4 177/4885

“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.