SCHEMBL15416286

SCHEMBL15416286

Cn1cc(-c2cccc(-c3ncc(-c4cnn(CC(=O)N5CCCCC5)c4)cn3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.46
IRAK1 P51617 7/20 0.45
CCNC P24863 2/20 0.45
CDK8 P49336 2/20 0.45
WNT1 P04628 2/20 0.44
GSK3B P49841 2/20 0.44
DYRK1A Q13627 2/20 0.44
GRIN2B Q13224 3/20 0.43

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
SCHEMBL15416231 0.99 IRAK4 (0.47) IRAK4IRAK1CCNCCDK8WNT1
SCHEMBL15416724 0.97 IRAK4 (0.47) IRAK4IRAK1CCNCCDK8GRIN2B
SCHEMBL15431484 0.92 CCNC (0.52) IRAK4IRAK1CCNCCDK8WNT1
Hydrochloric Acid SCHEMBL16713467 0.91 CCNC (0.52) IRAK4IRAK1CCNCCDK8WNT1
SCHEMBL15431497 0.91 IRAK4 (0.47) IRAK4IRAK1CCNCCDK8WNT1
SCHEMBL15431569 0.90 IRAK4 (0.49) IRAK4IRAK1CCNCCDK8WNT1
SCHEMBL15431644 0.90 CCNC (0.47) CCNCCDK8GRIN2B
SCHEMBL15431493 0.90 SPR (0.50) IRAK4IRAK1
SCHEMBL15416381 0.90 CCNC (0.47) CCNCCDK8GRIN2B
Hydrochloric Acid SCHEMBL15416693 0.89 CCNC (0.46) CCNCCDK8GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP claimed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US claimed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US claimed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
EP-2877524-A2 METHOD FOR CHEMICAL FOAMING IN THE PRESENCE OF REINFORCING FILLERS Rhodia Operations (FR) 2015-06-03 EP disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
EP-2872501-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 EP disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO disclosed
WO-2014009540-A2 METHOD FOR CHEMICAL FOAMING IN THE PRESENCE OF REINFORCING FILLERS RHODIA OPERATIONS (FR) 2014-01-16 WO disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 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-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR IRAK4 75/4885IRAK1 117/4885CCNC 1085/4885

“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.