SCHEMBL3780773

SCHEMBL3780773

CNc1cccc(-c2ccccc2N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
RAB9A P51151 3/20 0.43
EGFR P00533 1/20 0.43
PABPC1 P11940 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 4/20 0.40
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 5/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL3790082 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1
SCHEMBL2678036 0.81 PLA2G7 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1
SCHEMBL31427550 0.81 CD44 (0.48) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1
SCHEMBL6117974 0.81 CD44 (0.48) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1
SCHEMBL3793482 0.80 MAPT (0.52) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1
SCHEMBL3780916 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1
SCHEMBL11654081 0.78 ALDH1A1 (0.77) ALDH1A1L3MBTL1SMN1; SMN2TDP1RAB9A
SCHEMBL2224609 0.75 ALDH1A1 (0.72) ALDH1A1L3MBTL1SMN1; SMN2TDP1RAB9A
SCHEMBL157785 0.75
SCHEMBL29386059 0.75

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 ALDH1A1 4339/4885L3MBTL1 3838/4885MAPT 3312/4885

“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.