SCHEMBL3790040

SCHEMBL3790040

Cc1cccc(-c2c(C)cccc2N)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.62
DPP4 P27487 1/20 0.50
CYP3A4 P08684 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 3/20 0.44
PIK3CA P42336 1/20 0.44
ADORA2A P29274 3/20 0.42
PTPRC P08575 1/20 0.42
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
HBB P68871 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 1/20 0.39
MYC P01106 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
SCHEMBL3794845 0.84 ALDH1A1 (0.55) CD44DPP4CYP3A4TDP1TSHR
SCHEMBL9678804 0.84 CYP3A4 (0.54) CD44DPP4CYP3A4TDP1TSHR
SCHEMBL30839806 0.83 CD44 (0.62) CD44DPP4CYP3A4TDP1TSHR
SCHEMBL3790203 0.83 CD44 (0.62) CD44DPP4CYP3A4TDP1TSHR
SCHEMBL3786474 0.82 CYP3A4 (0.56) CD44DPP4CYP3A4TDP1TSHR
SCHEMBL30839808 0.82 CYP3A4 (0.56) CD44DPP4CYP3A4TDP1TSHR
SCHEMBL31607703 0.82 CYP3A4 (0.56) CD44DPP4CYP3A4TDP1TSHR
SCHEMBL3787337 0.82 CD44 (0.62) CD44DPP4CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL11680714 0.80 CD44 (0.59) CD44DPP4CYP3A4TDP1TSHR
SCHEMBL3789724 0.80 CD44 (0.60) CD44DPP4CYP3A4TDP1TSHR

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 CD44 4873/4885DPP4 3267/4885CYP3A4 177/4885

“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.