SCHEMBL3788055

SCHEMBL3788055

COc1cc(-c2ccccc2N)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
TDP1 Q9NUW8 2/20 0.68
CYP3A4 P08684 2/20 0.68
HSD17B10 Q99714 2/20 0.68
TSHR P16473 1/20 0.68
ADRA2B P18089 1/20 0.55
PTGS1 P23219 1/20 0.55
KIT P10721 1/20 0.51
DHFR P00374 2/20 0.47
APP P05067 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CHEK1 O14757 2/20 0.45
FGB P02675 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
ADORA2A P29274 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL395115 0.89 KIT (0.61) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL30610422 0.89 KIT (0.61) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL3787032 0.85 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL27902948 0.84 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL31661429 0.82 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL27186015 0.82 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL31607629 0.82 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL16621245 0.82 KIT (0.49) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL29399235 0.82 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL48945 0.82 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10TSHR

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 4339/4885TDP1 4196/4885CYP3A4 177/4885

“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.