SCHEMBL2950642

SCHEMBL2950642

O=C(O)Cc1cnc(Cc2ccc([N+](=O)[O-])cc2)n2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.44
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.40
NOS1 P29475 1/20 0.37
CYP2C19 P33261 1/20 0.36
LTA4H P09960 1/20 0.36
PLA2G2A P14555 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP19A1 P11511 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 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
SCHEMBL13236238 0.87 MAPT (0.39) PTGDR2POLBNOS1CYP2C19ALDH1A1
SCHEMBL2945205 0.84 GABRP (0.38) CYP1A2CYP2C19ALDH1A1CYP19A1KMT2A
SCHEMBL13817752 0.83 MAPT (0.36) PTGDR2POLBNOS1CYP2C19ALDH1A1
SCHEMBL2944286 0.80 PTGDR2 (0.48) PTGDR2CYP1A2POLBNOS1CYP2C19
SCHEMBL5959155 0.78 POLB (0.39) PTGDR2CYP1A2POLBNOS1CYP2C19
SCHEMBL2942332 0.73 PTGDR2 (0.52) PTGDR2
SCHEMBL2947947 0.71 CYP1A2 (0.44) PTGDR2CYP1A2POLBCYP2C19LTA4H
SCHEMBL2950073 0.71 CYP1A2 (0.44) PTGDR2CYP1A2POLBCYP2C19LTA4H
SCHEMBL1923032 0.70 PTGDR2 (0.39) PTGDR2POLBNOS1ALDH1A1KMT2A
SCHEMBL12415767 0.70 ENPP1 (0.38) PTGDR2POLBNOS1ALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750014-B2 Imidazo[1,2-C]pyrimidinylacetic acid derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
EP-1718649-B1 IMIDAZO 1,2-C PYRIMIDINYLACETIC ACID DERIVATIVES ACTIMIS PHARMACEUTICALS INC (US) 2009-06-10 EP disclosed
US-20090012102-A1 Imidazo[1,2-C]Pyrimidinylacetic Acid Derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
EP-1718649-A2 IMIDAZO 1,2-C PYRIMIDINYLACETIC ACID DERIVATIVES Actimis Pharmaceuticals, Inc., (US) 2006-11-08 EP disclosed
WO-2005073234-A2 IMIDAZO[1,2-C]PYRIMIDINYLACETIC ACID DERIVATIVES ACTIMIS PHARMACEUTICALS, INC. (US) 2005-08-11 WO 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-20090012102-A1 Imidazo[1,2-C]Pyrimidinylacetic Acid Derivatives HRH2, CCR2, HRH1 PTGDR2 56/4885CYP1A2 1867/4885POLB 3671/4885

“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.