SCHEMBL508841

SCHEMBL508841

CCOC(=O)Cc1c(C)nn(Cc2ccc(N)cc2Cl)c1C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.51
P2RX7 Q99572 7/20 0.48
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14632334 0.87 PTGDR2 (0.48) PTGDR2P2RX7
SCHEMBL28386417 0.86 PTGDR2 (0.64) PTGDR2
SCHEMBL31395711 0.84 PTGDR2 (0.52) PTGDR2
SCHEMBL508780 0.83 LMNA (0.49) PTGDR2P2RX7LMNA
SCHEMBL27938730 0.79 PTGDR2 (0.44) PTGDR2P2RX7JAK2ALDH1A1LMNA
SCHEMBL508771 0.79 PTGDR2 (0.47) PTGDR2P2RX7
SCHEMBL1354053 0.78 MAOA (0.44) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL27919844 0.77 LMNA (0.43) PTGDR2P2RX7JAK2ALDH1A1LMNA
SCHEMBL508851 0.77 PTGDR2 (0.52) PTGDR2
SCHEMBL11242635 0.77 GAA (0.62) PTGDR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
EP-2668181-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-11-05 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
US-8759386-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
CN-103339125-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed
US-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
CN-102884051-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-01-16 CN disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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 (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-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists HRH2, HRH1, HRH4 PTGDR2 59/4885P2RX7 135/4885JAK2 101/4885
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 PTGDR2 29/4885P2RX7 40/4885JAK2 431/4885

“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.