SCHEMBL3786304

SCHEMBL3786304

COc1c(N)cccc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.42
APP P05067 1/20 0.42
KIT P10721 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
TDP1 Q9NUW8 5/20 0.40
MAPK1 P28482 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 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
SCHEMBL3791228 0.86 ALDH1A1 (0.56) FYNKDRTDP1ALDH1A1CYP3A4
SCHEMBL7626649 0.85 SLC6A4 (0.42) ALDH1A1HSD17B10PTGS1
SCHEMBL2203933 0.83 ALDH1A1 (0.46) TDP1MAPK1ALDH1A1CYP3A4HSD17B10
SCHEMBL31607690 0.83 ALDH1A1 (0.46) TDP1MAPK1ALDH1A1CYP3A4HSD17B10
SCHEMBL28222892 0.83 CYP19A1 (0.53) FYNFLT3MAPK1CYP19A1ALDH1A1
SCHEMBL1119491 0.82 TDP1 (0.41) FYNAPPFLT3TDP1MAPK1
SCHEMBL24899907 0.82 CYP1A2 (0.40) ALDH1A1CYP3A4HSD17B10ADORA3TUBB4A
SCHEMBL28036688 0.81 CA1 (0.43) FYNAPPTDP1MAPK1CYP19A1
SCHEMBL6132279 0.81 MME (0.43) FYNAPPTDP1MAPK1CYP19A1
SCHEMBL3785574 0.81 FYN (0.54) FYNKITFLT3CYP19A1ALDH1A1

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 FYN 390/4885APP 2554/4885KIT 605/4885

“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.