SCHEMBL1923032

SCHEMBL1923032

COC(=O)Cc1c(Cl)nc(Cc2ccc([N+](=O)[O-])cc2)n2ccnc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 3/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
PTGS2 P35354 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS1 P29475 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
SCHEMBL2944286 0.88 PTGDR2 (0.48) PTGDR2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL12415767 0.88 ENPP1 (0.38) PTGDR2LMNAPOLBKMT2AALDH1A1
SCHEMBL13236205 0.86 NPSR1 (0.37) KMT2AALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL13264544 0.84 L3MBTL1 (0.32) ALDH1A1NPSR1L3MBTL1
SCHEMBL13236238 0.81 MAPT (0.39) PTGDR2LMNAPOLBKMT2AALDH1A1
SCHEMBL691743 0.78 KMT2A (0.41) POLBKMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL13236209 0.77 PTGDR2 (0.47) PTGDR2LMNASMN1; SMN2MAPT
SCHEMBL12569062 0.74 NPSR1 (0.41) LMNAKMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL12568714 0.74 TBXA2R (0.39) PTGDR2LMNAPOLBKMT2AALDH1A1
SCHEMBL12415747 0.73 TLR7 (0.34) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
EP-2328876-B1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTIMIS PHARMACEUTICALS INC (US) 2012-11-21 EP disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 US disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 US disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 US disclosed
EP-2328876-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actimis Pharmaceuticals, Inc., (US) 2011-06-08 EP disclosed
US-7750014-B2 Imidazo[1,2-C]pyrimidinylacetic acid derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
WO-2010027448-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTIMIS PHARMACEUTICALS INC. (US) 2010-03-11 WO disclosed
WO-2010027448-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTIMIS PHARMACEUTICALS INC. (US) 2010-03-11 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 56/4885LMNA 4522/4885POLB 3671/4885
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH4 PTGDR2 87/4885LMNA 4860/4885POLB 4441/4885

“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.