SCHEMBL3790668

SCHEMBL3790668

CSc1cc(N)ccc1-c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
BRD4 O60885 1/20 0.44
MAP4K4 O95819 5/20 0.43
RECQL P46063 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
PTBP1 P26599 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL3781939 0.87 MAOA (0.42) MAOATSHRCYP3A4MAPTKDM4E
SCHEMBL3789663 0.85 MAOA (0.45) MAOABRD4MAP4K4RECQLTSHR
SCHEMBL3791396 0.85 MAOA (0.50) MAOABRD4MAP4K4RECQLCASP1
SCHEMBL3788799 0.82 ALDH1A1 (0.40) TSHRCYP3A4MAPTKDM4EALDH1A1
SCHEMBL3795022 0.81 MAOA (0.41) MAOABRD4MAP4K4RECQLCASP1
SCHEMBL3793628 0.80 MAP4K4 (0.46) MAOABRD4MAP4K4RECQLTSHR
SCHEMBL3794218 0.78 MAOA (0.50) MAOAMAP4K4RECQLCASP1CYP3A4
SCHEMBL3784101 0.77 MAOA (0.50) MAOABRD4MAP4K4CASP1CYP3A4
SCHEMBL25632076 0.76 MAOA (0.56) MAOABRD4MAP4K4RECQLTSHR
SCHEMBL3781179 0.75 MAOA (0.42) MAOABRD4MAP4K4RECQLTSHR

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 348/4885BRD4 96/4885MAP4K4 3704/4885

“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.