SCHEMBL4769402

SCHEMBL4769402

Cc1c([N+](=O)[O-])c(=O)n(Cc2ccc(F)cc2)c(=O)n1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GNRHR P30968 3/20 0.43
TP53 P04637 2/20 0.41
KMT2A Q03164 1/20 0.40
SOS1 Q07889 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RGS4 P49798 3/20 0.38
RGS8 P57771 3/20 0.38
P2RX3 P56373 4/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
RGS16 O15492 1/20 0.37

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
SCHEMBL4769603 0.86 DCTPP1 (0.46) KMT2AMAPTRGS4P2RX3MAPK1
SCHEMBL4769688 0.86 PDE4A (0.40) POLBGNRHRKMT2ACYP3A4P2RX3
SCHEMBL4770944 0.83 ADORA2A (0.39) POLBGNRHRLMNAMAPTRGS4
SCHEMBL4767472 0.83 POLB (0.46) POLBTP53KMT2ASOS1LMNA
SCHEMBL4765718 0.81 PDE4D (0.46) POLBGNRHRTP53KMT2ASOS1
SCHEMBL4766297 0.81 HSPD1 (0.36) POLBGNRHRKMT2AALDH1A1HSD17B10
SCHEMBL4763645 0.78 SIRT1 (0.40) GNRHRKMT2ALMNAMAPTRGS4
SCHEMBL4767325 0.77 P2RX3 (0.54) GNRHRTP53KMT2ACYP3A4CYP2C19
SCHEMBL4765585 0.76 MAPT (0.44) GNRHRKMT2ALMNAMAPTMAPK1
SCHEMBL4770686 0.75 DCTPP1 (0.51) KMT2AMAPTRGS4MAPK1KDM4E

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
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 POLB 1001/4885GNRHR 1042/4885TP53 3718/4885

“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.