SCHEMBL17101636

SCHEMBL17101636

O=C1CCC(Nc2ncc(Cl)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
CCNK O75909 8/20 0.41
CDK12 Q9NYV4 8/20 0.41
PIM1 P11309 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21047804 0.79 KDM4E (0.62) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL31619957 0.76 MAPK1 (0.64) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL29730384 0.76 MAPK1 (1.00) MAPK1PIM1HDAC3HDAC1HDAC2
SCHEMBL26676635 0.74 PIK3CA (0.41) MAPK1PIM1
SCHEMBL22570020 0.72 MAPK1 (0.58) MAPK1CCNKCDK12PIM1HDAC3
SCHEMBL29138593 0.72 ESR2 (0.37) MAPK1PIM1
SCHEMBL28282290 0.71 CCNA2 (0.46) CCNKCDK12
SCHEMBL29754817 0.71 IKBKB (0.59) MAPK1
SCHEMBL31334769 0.71 MAPK1 (0.53) MAPK1CCNKCDK12
SCHEMBL26676723 0.70 HSD11B1 (0.45) MAPK1PIM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301309-B2 Azaindole acetic acid derivatives and their use as prostaglandin D2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2019-05-28 US disclosed
EP-3119779-B1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-11 EP disclosed
US-20180105520-A1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-9879006-B2 Azaindole acetic acid derivatives and their use as prostaglandin D2 receptor modulators IDORSIA PHARMACEUTICALS LTD 2018-01-30 US disclosed
US-20170022196-A1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-01-26 US disclosed
EP-3119779-A1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd (CH) 2017-01-25 EP disclosed
WO-2015140684-A1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-24 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 (3 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-20170022196-A1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGDR, PTGDR2, PTGER2 MAPK1 1256/4885CCNK 1638/4885CDK12 891/4885
US-10301309-B2 Azaindole acetic acid derivatives and their use as prostaglandin D2 receptor modulators PTGDR, PTGDR2, PTGER2 MAPK1 1256/4885CCNK 1638/4885CDK12 891/4885
US-20180105520-A1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGDR, PTGDR2, PTGER2 MAPK1 1256/4885CCNK 1638/4885CDK12 891/4885

“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.