SCHEMBL3789487

SCHEMBL3789487

CNc1cccc(-c2ccc(N)cc2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
HTR6 P50406 2/20 0.38
EGFR P00533 1/20 0.38
PABPC1 P11940 1/20 0.38
RAB9A P51151 1/20 0.38
KDR P35968 3/20 0.38
KIT P10721 2/20 0.38
FLT3 P36888 2/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 2/20 0.37
HSD17B10 Q99714 3/20 0.37
TAAR1 Q96RJ0 2/20 0.37
PDK2 Q15119 1/20 0.35
APP P05067 2/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL3780916 0.86 ALDH1A1 (0.45) TDP1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL3785560 0.84 TDP1 (0.44) TDP1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL3788065 0.81 MAP4K4 (0.47) TDP1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL26817540 0.78 CYP3A4 (0.42) TDP1MAPTKDRKITFLT3
SCHEMBL3780773 0.74 ALDH1A1 (0.52) TDP1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL3789435 0.74 CD44 (0.48) TDP1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL3785700 0.73 ALDH1A1 (0.39) TDP1MAPTL3MBTL1SMN1; SMN2KDR
SCHEMBL3789831 0.73 MAPT (0.41) TDP1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL25060039 0.73 CD274 (0.52) MAPTSMN1; SMN2RAB9AALDH1A1TP53
SCHEMBL4749661 0.73 ALDH1A1 (0.46) TDP1MAPTL3MBTL1SMN1; SMN2KDR

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 TDP1 4196/4885MAPT 3312/4885L3MBTL1 3838/4885

“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.