SCHEMBL4862734

SCHEMBL4862734

COc1ccc(Cn2c(-c3cnn(C)c3)c([N+](=O)[O-])c(=O)n(Cc3ccccc3F)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 6/20 0.41
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DCTPP1 Q9H773 2/20 0.38
GABRA5 P31644 1/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
GNRHR P30968 1/20 0.37
ADORA2A P29274 2/20 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
SCHEMBL4866686 0.92 MAPT (0.44) MAPTSMN1; SMN2TP53ALDH1A1NPSR1
SCHEMBL4866971 0.91 ADORA2B (0.44) MAPTSMN1; SMN2TP53ALDH1A1DCTPP1
SCHEMBL4866426 0.90 ALDH1A1 (0.46) MAPTALDH1A1HPGDL3MBTL1TSHR
SCHEMBL4864036 0.90 DCTPP1 (0.43) MAPTSMN1; SMN2ALDH1A1DCTPP1GABRA5
SCHEMBL4867853 0.89 MAPT (0.42) MAPTSMN1; SMN2TP53ALDH1A1DCTPP1
SCHEMBL4889396 0.86 ADORA2B (0.43) MAPTSMN1; SMN2TP53GNRHRADORA2A
SCHEMBL4767904 0.85 MAPT (0.44) MAPTSMN1; SMN2TP53ALDH1A1NPSR1
SCHEMBL4867838 0.84 ADORA2B (0.40) MAPTSMN1; SMN2TP53ALDH1A1DCTPP1
SCHEMBL4868188 0.83 DCTPP1 (0.38) MAPTSMN1; SMN2DCTPP1GABRA5L3MBTL1
SCHEMBL4862736 0.82 PDE1A (0.40) MAPTSMN1; SMN2TP53ALDH1A1DCTPP1

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 MAPT 4503/4885SMN1; SMN2 3995/4885TP53 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.