SCHEMBL2950073

SCHEMBL2950073

O=C(O)Cc1cnc(Cc2ccc([N+](=O)[O-])cc2)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
PIN1 Q13526 1/20 0.41
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
CYP2C19 P33261 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C9 P11712 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
TYMP P19971 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LTA4H P09960 1/20 0.37
PLA2G2A P14555 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 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
SCHEMBL2947947 0.88 CYP1A2 (0.44) CYP1A2POLBPTGDR2CYP2C19ALDH1A1
SCHEMBL13236237 0.86 PTGS2 (0.43) CYP1A2POLBCYP2C19ALDH1A1CYP2C9
SCHEMBL2791166 0.83 PTGDR2 (0.45) CYP1A2POLBPTGDR2CYP2C19ALDH1A1
SCHEMBL2791459 0.83 PTGDR2 (0.45) CYP1A2POLBPTGDR2CYP2C19ALDH1A1
SCHEMBL13818337 0.80 EGLN1 (0.36) CYP1A2PTGDR2MAPTKDM4E
SCHEMBL3443273 0.78 PTGDR2 (0.46) CYP1A2POLBPTGDR2CYP2C19ALDH1A1
SCHEMBL3443271 0.78 PTGDR2 (0.46) CYP1A2POLBPTGDR2CYP2C19ALDH1A1
SCHEMBL12415771 0.78 POLB (0.46) CYP1A2POLBCYP2C19ALDH1A1CYP2C9
SCHEMBL5959150 0.77 MAOB (0.40) CYP1A2PIN1POLBCYP2C19CYP2C9
SCHEMBL2943313 0.77 ALDH1A1 (0.39) CYP1A2POLBPTGDR2ALDH1A1MEN1

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 CYP1A2 1867/4885PIN1 1304/4885POLB 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.