SCHEMBL3787555

SCHEMBL3787555

NCc1cccc(-c2ccccc2)c1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.69
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
PNMT P11086 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK2A1 P68400 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
FOLH1 Q04609 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 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
SCHEMBL27454835 0.88 DPP4 (0.70) DPP4ALDH1A1HSD17B10PDCD1CD274
SCHEMBL3791232 0.86 DPP4 (0.50) DPP4ALDH1A1HSD17B10TAAR1PNMT
SCHEMBL27525656 0.84 DPP4 (0.53) DPP4ALDH1A1HSD17B10PDCD1CD274
SCHEMBL3787583 0.83 PDCD1 (0.60) DPP4ALDH1A1HSD17B10PDCD1CD274
SCHEMBL3790169 0.82 MAP4K4 (0.47) DPP4ALDH1A1PNMTMAPTCYP11B1
SCHEMBL469051 0.82 DPP4 (1.00) DPP4ALDH1A1HSD17B10PDCD1CD274
SCHEMBL29872374 0.82 DPP4 (1.00) DPP4ALDH1A1HSD17B10PDCD1CD274
SCHEMBL21665539 0.82 DPP4 (0.50) DPP4ALDH1A1HSD17B10PDCD1CD274
Hydrochloric Acid SCHEMBL4776720 0.80 DPP4 (0.95) DPP4ALDH1A1HSD17B10PDCD1CD274
SCHEMBL27762955 0.80 DPP4 (0.48) DPP4ALDH1A1HSD17B10PDCD1CD274

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 3267/4885ALDH1A1 4339/4885HSD17B10 1100/4885

“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.