SCHEMBL3789741

SCHEMBL3789741

CNc1c(N)cccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.41
TDO2 P48775 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
ACVR1 Q04771 1/20 0.37
TNK2 Q07912 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
SCHEMBL3785700 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10L3MBTL1MAP4K4LTK
SCHEMBL19787487 0.85 TDO2 (0.44) ALDH1A1HSD17B10TDO2TDP1DPP4
SCHEMBL3790019 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10L3MBTL1CYP3A4TDP1
SCHEMBL3783842 0.83 MAP4K4 (0.47) ALDH1A1HSD17B10MAP4K4CYP3A4TDP1
SCHEMBL23609409 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1MAPK13MAPK12
SCHEMBL15940153 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1TDO2MAPK13
SCHEMBL8466087 0.78 TSHR (0.48) ALDH1A1HSD17B10L3MBTL1MAP4K4CYP3A4
SCHEMBL18509790 0.78 ESR2 (0.42) ALDH1A1HSD17B10TDO2CLK4CYP3A4
SCHEMBL6077764 0.78 MAPT (0.44) ALDH1A1HSD17B10L3MBTL1TDO2TDP1
SCHEMBL18634828 0.76 ADORA2B (0.41) ALDH1A1HSD17B10L3MBTL1TDO2PDCD1

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 3 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
US-4443447-A Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INC. (US) 1984-04-17 US 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 ALDH1A1 4339/4885HSD17B10 1100/4885L3MBTL1 3838/4885

“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.