SCHEMBL4866434

SCHEMBL4866434

Cn1cc(-c2c([N+](=O)[O-])c(=O)n(C(F)c3ccccc3)c(=O)n2C(F)c2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
EPHX2 P34913 2/20 0.34
CREBBP Q92793 3/20 0.34
DGKA P23743 1/20 0.34
DGKG P49619 1/20 0.34
DGKB Q9Y6T7 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
ERN1 O75460 1/20 0.33
PKM P14618 1/20 0.33
CLK1 P49759 2/20 0.32
NAAA Q02083 1/20 0.32
GRM2 Q14416 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4862902 0.86 HSP90AA1 (0.47) GRM2MEN1KMT2AALDH1A1HPGD
SCHEMBL4859850 0.86 DCTPP1 (0.41) BRD4EPHX2CREBBPDGKADGKG
SCHEMBL4862736 0.82 PDE1A (0.40) ALDH1A1DCTPP1
SCHEMBL4762428 0.81 MAPT (0.39) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL4762430 0.81 MAPT (0.39) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL4864909 0.80 ADORA2B (0.43) CREBBPPKMALDH1A1
SCHEMBL4767578 0.79 DCTPP1 (0.38) DGKADGKGDGKBPKMMEN1
SCHEMBL4916172 0.78 ADORA2B (0.45) CREBBPALDH1A1
SCHEMBL4863582 0.76 DCTPP1 (0.37) BRD4CREBBPMEN1KMT2AALDH1A1
SCHEMBL4866995 0.76 ERN1 (0.36) BRD4EPHX2CCNT1CCNE2CCNE1

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 BRD4 1166/4885EPHX2 347/4885CREBBP 2825/4885

“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.