SCHEMBL3781497

SCHEMBL3781497

NCc1cc(N)ccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
CSNK2A1 P68400 2/20 0.46
MAOA P21397 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 4/20 0.40
BACE1 P56817 1/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
TLR9 Q9NR96 1/20 0.39
PTPRC P08575 2/20 0.38

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
SCHEMBL3788707 0.88 DPP4 (0.43) DPP4HSD17B10CYP3A4TDP1TAAR1
SCHEMBL3789101 0.86 MAOA (0.47) DPP4MAOACYP3A4ALDH1A1KMT2A
SCHEMBL3790211 0.84 DPP4 (0.61) DPP4CSNK2A1MAOAHSD17B10CYP3A4
SCHEMBL3790106 0.84 PTGDR2 (0.46) DPP4MAOAHSD17B10CYP3A4TDP1
SCHEMBL27656432 0.82 PTGDR2 (0.45) DPP4CSNK2A1MAOAHSD17B10CYP3A4
SCHEMBL27948071 0.82 DPP4 (0.63) DPP4CSNK2A1MAOAHSD17B10CYP3A4
SCHEMBL28179614 0.81 USP7 (0.44) DPP4HSD17B10CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL23057561 0.79 DPP4 (0.41) DPP4CSNK2A1MAOAHSD17B10CYP3A4
SCHEMBL29795424 0.79 DPP4 (0.41) DPP4MAOAHSD17B10CYP3A4TDP1
SCHEMBL28106581 0.79 CYP3A4 (0.48) DPP4MAOAHSD17B10CYP3A4TDP1

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 DPP4 3267/4885CSNK2A1 4767/4885MAOA 348/4885

“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.