SCHEMBL16713468

SCHEMBL16713468

CC1COCCN1C(=O)Cn1cc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 3/20 0.48
▸ GSK3B P49841 3/20 0.48
▸ DYRK1A Q13627 3/20 0.48
▸ IRAK1 P51617 12/20 0.45
▸ IRAK4 Q9NWZ3 11/20 0.44
▸ GRIN2B Q13224 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
SCHEMBL15431256 0.88 IRAK4 (0.44) WNT1GSK3BDYRK1AIRAK1IRAK4
SCHEMBL15431569 0.85 IRAK4 (0.49) WNT1GSK3BDYRK1AIRAK1IRAK4
SCHEMBL16730138 0.83 IRAK4 (0.43) IRAK1IRAK4
SCHEMBL15431497 0.82 IRAK4 (0.47) WNT1GSK3BDYRK1AIRAK1IRAK4
SCHEMBL15416438 0.81 WNT1 (0.48) WNT1GSK3BDYRK1AIRAK1IRAK4
SCHEMBL15416724 0.80 IRAK4 (0.47) IRAK1IRAK4GRIN2B
SCHEMBL15416231 0.80 IRAK4 (0.47) WNT1GSK3BDYRK1AIRAK1IRAK4
SCHEMBL16713547 0.80 WNT1 (0.49) WNT1GSK3BDYRK1AIRAK1IRAK4
SCHEMBL15416685 0.80 IRAK4 (0.56) IRAK1IRAK4
SCHEMBL16713760 0.80 IRAK4 (0.56) IRAK1IRAK4

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 8 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
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

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 WNT1 444/4885GSK3B 2682/4885DYRK1A 3533/4885

“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.

Send feedback