SCHEMBL3484935

SCHEMBL3484935

O=C1Cc2c(O)ccc(Cl)c2N1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
DRD2 P14416 2/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
DRD3 P35462 2/20 0.49
PDE7A Q13946 1/20 0.43
CMA1 P23946 1/20 0.38
CES1 P23141 1/20 0.37
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9837197 0.84 AHR (0.57) AHRDRD2DRD1DRD4DRD5
SCHEMBL9651185 0.83 PDE7A (0.42) AHRDRD2DRD1DRD4DRD5
SCHEMBL20597241 0.80 PDE7A (0.43) AHRDRD2DRD1DRD4DRD5
SCHEMBL3484512 0.79 DRD2 (0.51) AHRDRD2DRD1DRD4DRD5
SCHEMBL20714433 0.75 PDE7A (0.39) AHRDRD2DRD1DRD4DRD5
SCHEMBL11526659 0.73 AHR (0.46) AHRCMA1CES1
SCHEMBL9524333 0.73 DRD2 (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9909635 0.72 DRD2 (0.55) AHRDRD2DRD1DRD4DRD5
SCHEMBL10712776 0.72 AHR (0.53) AHRCES1MAPK1
SCHEMBL20597588 0.72 DRD2 (0.49) DRD2DRD1DRD4DRD3PDE7A

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 AHR 259/4885DRD2 1841/4885DRD1 2144/4885

“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.