SCHEMBL4867656

SCHEMBL4867656

Cn1cc(-c2c([N+](=O)[O-])c(=O)n(C3CCC3)c(=O)n2CCc2ccccc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
EGFR P00533 3/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
MERTK Q12866 2/20 0.35
AXL P30530 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASR P41180 1/20 0.33

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
SCHEMBL4864154 0.90 HSP90AA1 (0.38) CACNA1GCACNA1HGAAHPGDMAPT
SCHEMBL4859855 0.86 MAPT (0.41) GAAHPGDMAPTALDH1A1HTT
SCHEMBL4867818 0.85 ADORA2B (0.39) MAPTALDH1A1TSHRNPSR1POLB
SCHEMBL4891723 0.83 C5AR1 (0.42) ADORA2AADORA2BADORA1
SCHEMBL4771507 0.82 MAPT (0.36) CACNA1GCACNA1HGAAHPGDMAPT
SCHEMBL4867634 0.82 PIK3CA (0.39) EGFRPIK3CA
SCHEMBL4769064 0.81 CACNA1G (0.41) CACNA1GCACNA1HGAAHPGDMAPT
SCHEMBL4867651 0.80 CREBBP (0.37) EGFRPIK3CA
SCHEMBL4863589 0.79 ADORA2B (0.41) EGFRGAAHPGDMAPTALDH1A1
SCHEMBL4867852 0.79 PARG (0.37) EGFRCYP3A4CYP2D6PIK3CA

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-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 CACNA1G 4387/4885CACNA1H 4248/4885EGFR 425/4885

“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.