SCHEMBL3787113

SCHEMBL3787113

CNc1ccc(-c2ccccc2N)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PRKCI P41743 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DHFR P00374 1/20 0.41
FEN1 P39748 3/20 0.39
ALOX5AP P20292 2/20 0.38
KIT P10721 1/20 0.36
LIMK1 P53667 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
CHEK1 O14757 1/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
S1PR1 P21453 1/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3784073 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1DHFRFEN1
SCHEMBL10412397 0.82 PRKCI (0.53) ALDH1A1HSD17B10PRKCIL3MBTL1KDM4E
SCHEMBL3804750 0.81 MAPT (0.52) ALDH1A1HSD17B10PRKCIKDM4EGAA
SCHEMBL30291080 0.76 TDP1 (0.61) ALDH1A1HSD17B10PRKCIL3MBTL1KDM4E
SCHEMBL21317868 0.76 BACE1 (0.40) ALDH1A1PRKCIFEN1ALOX5APKDM4E
SCHEMBL5556308 0.76 MEN1 (0.59) ALDH1A1HSD17B10L3MBTL1DHFRFEN1
SCHEMBL5604523 0.75 PRKCI (0.47) ALDH1A1HSD17B10PRKCIL3MBTL1KDM4E
SCHEMBL3787997 0.75 PRKCI (0.47) ALDH1A1HSD17B10PRKCIKDM4ENPC1
SCHEMBL3786028 0.75 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1DHFRKIT
SCHEMBL3802241 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1DHFRFEN1

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 1100/4885PRKCI 4454/4885

“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.