SCHEMBL3789559

SCHEMBL3789559

COc1cc(N)cc(-c2ccccc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.53
ABCB1 P08183 2/20 0.53
BCR P11274 2/20 0.53
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41
CYP3A7 P24462 1/20 0.41

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
SCHEMBL30839726 0.82 ALDH1A1 (0.47) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL27185994 0.82 ALDH1A1 (0.47) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL30839710 0.82 ALDH1A1 (0.47) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL6011481 0.82 CYP3A4 (0.46) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL3788613 0.81 TP53 (0.50) ALDH1A1CYP3A4HSD17B10L3MBTL1MAPT
SCHEMBL3790255 0.81 MEN1 (0.56) ALDH1A1CYP3A4HSD17B10L3MBTL1CYP1A2
SCHEMBL396757 0.80 TDO2 (0.55) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL30785681 0.80 TDO2 (0.55) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL3053111 0.79 CYP3A4 (0.55) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL3790536 0.79 BACE1 (0.49) ALDH1A1CYP3A4HSD17B10MAPTGAA

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 ABL1 103/4885ABCB1 826/4885BCR 184/4885

“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.