SCHEMBL3789650

SCHEMBL3789650

NCc1ccc(N)c(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.59
TAAR1 Q96RJ0 3/20 0.54
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BACE1 P56817 2/20 0.47
DPP4 P27487 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
SGK1 O00141 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
ROCK1 Q13464 1/20 0.37
TLR8 Q9NR97 1/20 0.37
HTR6 P50406 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
SCHEMBL22043864 0.86 ALDH1A1 (0.52) CSNK2A1TAAR1ALDH1A1HSD17B10BACE1
SCHEMBL17454559 0.85 TAAR1 (0.52) CSNK2A1TAAR1ALDH1A1HSD17B10DPP4
SCHEMBL3790606 0.84 LOXL2 (0.54) CSNK2A1TAAR1ALDH1A1BACE1LOXL2
SCHEMBL3783312 0.84 CSNK2A1 (0.65) CSNK2A1TAAR1ALDH1A1HSD17B10BACE1
SCHEMBL3783088 0.84 ALDH1A1 (0.50) CSNK2A1TAAR1ALDH1A1HSD17B10BACE1
SCHEMBL27508195 0.83 CSNK2A1 (0.69) CSNK2A1TAAR1BACE1DPP4LOXL2
SCHEMBL3790111 0.83 MAP4K4 (0.46) CSNK2A1TAAR1LOXL2HRH3
SCHEMBL21708360 0.82 ALDH1A1 (0.48) CSNK2A1ALDH1A1HSD17B10BACE1
SCHEMBL28184247 0.82 ALDH1A1 (0.48) CSNK2A1TAAR1ALDH1A1HSD17B10BACE1
SCHEMBL3785443 0.82 ALDH1A1 (0.54) CSNK2A1TAAR1ALDH1A1HSD17B10LOXL2

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.