SCHEMBL3786549

SCHEMBL3786549

NC(=O)c1cc(N)cc(-c2ccc(N)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.55
PARP10 Q53GL7 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MKNK1 Q9BUB5 6/20 0.43
MKNK2 Q9HBH9 6/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PLAU P00749 1/20 0.41
MAP4K4 O95819 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL3781228 0.86 DHODH (0.68) DHODHCYP3A4TDP1MKNK1MKNK2
SCHEMBL24587538 0.83 MKNK1 (0.55) DHODHPARP10MKNK1MKNK2CA12
SCHEMBL3784634 0.82 MAPT (0.47) DHODHALDH1A1TP53CYP3A4TDP1
SCHEMBL3791008 0.81 DHODH (0.57) DHODHALDH1A1MKNK2CA12CA1
SCHEMBL3786517 0.81 PARP10 (0.65) PARP10ALDH1A1TP53CYP3A4TDP1
Benzidine SCHEMBL9460959 0.81 PARP10 (0.65) PARP10ALDH1A1TP53CYP3A4TDP1
SCHEMBL3165972 0.78 ERN1 (0.57) DHODHERN1
SCHEMBL21253164 0.78 ATAD2 (0.50) PARP10ALDH1A1MKNK1MKNK2CA12
SCHEMBL890399 0.78 CYP3A4 (0.44) DHODHPARP10ALDH1A1CYP3A4TDP1
SCHEMBL1807992 0.78 KDM4E (0.46) DHODHPARP10ALDH1A1CYP3A4TDP1

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 DHODH 869/4885PARP10 1861/4885ALDH1A1 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.