SCHEMBL3787572

SCHEMBL3787572

CSc1cc(-c2ccccc2N)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
DHFR P00374 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
LIMK1 P53667 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
KIT P10721 1/20 0.36
NPC1 O15118 5/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
CHEK1 O14757 1/20 0.35
RAB9A P51151 4/20 0.34
HPGD P15428 2/20 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
SCHEMBL3787062 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL3364762 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL11528651 0.82 AAK1 (0.50) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL3784681 0.81 HSD17B10 (0.52) ALDH1A1HSD17B10L3MBTL1MEN1KMT2A
SCHEMBL3803867 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL3792730 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL5556308 0.76 MEN1 (0.59) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL3783187 0.75 AAK1 (0.48) ALDH1A1HSD17B10L3MBTL1DHFRMEN1
SCHEMBL397063 0.75 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1DHFRMAPT
SCHEMBL3789866 0.75 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1

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 4339/4885HSD17B10 1100/4885L3MBTL1 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.