SCHEMBL3789256

SCHEMBL3789256

CSc1ccc(N)cc1-c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
AR P10275 12/20 0.39
PDE7A Q13946 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21021830 0.90 ACHE (0.43) TDP1ALDH1A1TP53ARHSD17B10
SCHEMBL2649579 0.88 MAOA (0.42) CYP3A4TDP1ALDH1A1TP53AR
SCHEMBL3788799 0.83 ALDH1A1 (0.40) CYP3A4TDP1ALDH1A1TP53PDE7A
SCHEMBL3789663 0.82 MAOA (0.45) CYP3A4ALDH1A1ARKDM4EMEN1
SCHEMBL2785165 0.79 ALOX5AP (0.46) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL3787049 0.79 TDP1 (0.36) CYP3A4TDP1ALDH1A1TP53PDE7A
SCHEMBL3787008 0.75 TDP1 (0.46) CYP3A4TDP1ALDH1A1TP53PDE7A
SCHEMBL3792747 0.75 ALDH1A1 (0.48) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL3785445 0.73 HPGD (0.54) CYP3A4TDP1ALDH1A1TP53PDE7A
SCHEMBL8920417 0.73 CASP1 (0.48) CYP3A4TDP1ALDH1A1TP53PDE7A

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 CYP3A4 177/4885TDP1 4196/4885ALDH1A1 4339/4885

“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.