SCHEMBL15416320

SCHEMBL15416320

CN(C)CCn1cc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.52
IRAK1 P51617 10/20 0.52
MAP4K4 O95819 3/20 0.47
TGFBR1 P36897 3/20 0.47
KCNH2 Q12809 1/20 0.45

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
SCHEMBL16907850 0.86 IRAK4 (0.57) IRAK4IRAK1
SCHEMBL15416393 0.85 IRAK1 (0.56) IRAK4IRAK1
SCHEMBL15416640 0.84 IRAK1 (0.59) IRAK4IRAK1
SCHEMBL15431248 0.83 IRAK4 (0.47) IRAK4IRAK1
SCHEMBL15431525 0.83 IRAK4 (0.58) IRAK4IRAK1
SCHEMBL15431494 0.83 IRAK4 (0.48) IRAK4IRAK1
SCHEMBL15431602 0.82 IRAK1 (0.51) IRAK4IRAK1
SCHEMBL15416650 0.82 IRAK4 (0.48) IRAK4IRAK1
SCHEMBL15416135 0.81 IRAK4 (0.46) IRAK4IRAK1
SCHEMBL15416780 0.81 IRAK1 (0.50) IRAK4IRAK1

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 18 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-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 EP claimed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO 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
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
EP-2872502-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO disclosed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (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 117/4885MAP4K4 1419/4885

“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.