SCHEMBL3783312

SCHEMBL3783312

NCc1ccc(-c2ccccc2)c(N)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.65
TAAR1 Q96RJ0 3/20 0.54
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DPP4 P27487 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
BACE1 P56817 3/20 0.43
SGK1 O00141 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
FOLH1 Q04609 1/20 0.39
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37

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
SCHEMBL3786057 0.84 ALDH1A1 (0.50) CSNK2A1ALDH1A1HSD17B10BACE1FOLH1
SCHEMBL3787029 0.84 LOXL2 (0.54) CSNK2A1TAAR1ALDH1A1LOXL2HRH3
SCHEMBL3789650 0.84 CSNK2A1 (0.59) CSNK2A1TAAR1ALDH1A1HSD17B10DPP4
SCHEMBL27508195 0.83 CSNK2A1 (0.69) CSNK2A1TAAR1DPP4LOXL2BACE1
SCHEMBL3786152 0.83 CSNK2A1 (0.46) CSNK2A1TAAR1LOXL2HRH3
SCHEMBL28171242 0.82 ALDH1A1 (0.48) CSNK2A1TAAR1ALDH1A1HSD17B10BACE1
SCHEMBL13957118 0.82 CSNK2A1 (0.49) CSNK2A1TAAR1ALDH1A1HSD17B10DPP4
SCHEMBL3787190 0.82 ALDH1A1 (0.54) CSNK2A1TAAR1ALDH1A1HSD17B10LOXL2
SCHEMBL6187403 0.81 BACE1 (0.49) CSNK2A1ALDH1A1HSD17B10BACE1FOLH1
SCHEMBL2807447 0.80 CSNK2A1 (0.65) CSNK2A1TAAR1ALDH1A1HSD17B10DPP4

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 CSNK2A1 4767/4885TAAR1 1746/4885ALDH1A1 4339/4885

“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.