SCHEMBL9110780

SCHEMBL9110780

O=c1ccccn1-c1cncc(-c2ccncc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NOTUM Q6P988 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
KDR P35968 1/20 0.36
HTR6 P50406 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ACVR1 Q04771 1/20 0.35
F10 P00742 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
SCHEMBL3561936 0.79 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL14663669 0.78 CYP11B1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL31456691 0.77 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL31456616 0.77 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL20153319 0.77 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL31456682 0.77 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL31456692 0.77 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL14909303 0.77 HTT (0.40) CA12CA1CA2CA9CA14
SCHEMBL17809518 0.76 KDM4E (0.34) CHRNB4CHRNA3PDGFRBPDGFRAPDE3B
SCHEMBL9110239 0.75 HTT (0.55) CA12CA1CA2CA9CA14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 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-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 CA12 4878/4885CA1 4867/4885CA2 4778/4885

“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.