SCHEMBL3786514

SCHEMBL3786514

COc1cc(N)cc(-c2ccc(N)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ ABL1 P00519 3/20 0.53
▸ ABCB1 P08183 3/20 0.53
▸ BCR P11274 3/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ CYP19A1 P11511 2/20 0.48
▸ APP P05067 1/20 0.48
▸ NQO2 P16083 1/20 0.48
▸ RXRA P19793 1/20 0.47
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2E1 P05181 1/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL30839799 0.89 ALDH1A1 (0.50) TDP1MAPK1ABL1ABCB1BCR
SCHEMBL27185954 0.89 ALDH1A1 (0.50) TDP1MAPK1ABL1ABCB1BCR
SCHEMBL3053111 0.86 CYP3A4 (0.55) TDP1ABL1ABCB1BCRALDH1A1
SCHEMBL24462151 0.83 ABL1 (0.59) TDP1MAPK1ABL1ABCB1BCR
SCHEMBL3788740 0.80 CYP3A4 (0.64) ABL1ABCB1BCRALDH1A1CYP3A4
SCHEMBL1926936 0.80 TDP1 (0.84) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL30839732 0.80 ALDH1A1 (0.69) TDP1MAPK1ABL1ABCB1BCR
SCHEMBL30839735 0.80 ALDH1A1 (0.69) TDP1MAPK1ABL1ABCB1BCR
SCHEMBL27185955 0.80 ALDH1A1 (0.69) TDP1MAPK1ABL1ABCB1BCR
SCHEMBL3790251 0.79 TDP1 (0.59) TDP1MAPK1ALDH1A1CYP3A4RXRA

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 4196/4885MAPK1 4726/4885ABL1 103/4885

“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.

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