SCHEMBL4576857

SCHEMBL4576857

COCCOc1nc(N)c2nc(OC)n(C(C)C3CCN(CC(=O)Nc4cccc(CC(=O)OC)c4)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.44
DRD4 P21917 6/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPK10 P53779 1/20 0.36
PTPN11 Q06124 1/20 0.35
ACKR3 P25106 1/20 0.35
CASR P41180 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
SCHEMBL4591512 0.86 TLR7 (0.46) TLR7DRD2
SCHEMBL4576582 0.86 TLR7 (0.58) TLR7DRD4DRD2DRD3
SCHEMBL4576859 0.86 TLR7 (0.47) TLR7DRD4DRD2DRD3SMN1; SMN2
SCHEMBL4576916 0.83 TLR7 (0.46) TLR7
SCHEMBL4576843 0.81 TLR7 (0.47) TLR7
SCHEMBL4898758 0.81 TLR7 (0.59) TLR7
SCHEMBL4591271 0.81 TLR7 (0.51) TLR7DRD4DRD2DRD3
SCHEMBL4576614 0.77 TLR7 (0.44) TLR7
SCHEMBL4576572 0.77 TLR7 (0.63) TLR7
SCHEMBL4576892 0.75 TLR7 (0.51) TLR7

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-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TLR7 612/4885DRD4 1523/4885DRD2 967/4885

“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.