SCHEMBL16713484

SCHEMBL16713484

CC(=O)N1CC[C@@H](n2cc(-c3cnc(-c4cccc(-c5cnn(C)c5)c4)nc3)cn2)[C@@H](F)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 13/20 0.60
▸ IRAK1 P51617 12/20 0.60
▸ CREBBP Q92793 1/20 0.44
▸ WNT1 P04628 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 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
SCHEMBL16713487 1.00 IRAK4 (0.60) IRAK4IRAK1CREBBPWNT1GSK3B
SCHEMBL15431625 1.00 IRAK4 (0.60) IRAK4IRAK1CREBBPWNT1GSK3B
SCHEMBL15431597 0.90 IRAK1 (0.55) IRAK4IRAK1CREBBP
SCHEMBL15431596 0.90 IRAK1 (0.55) IRAK4IRAK1CREBBP
SCHEMBL16727386 0.90 IRAK1 (0.55) IRAK4IRAK1CREBBP
SCHEMBL15431358 0.89 IRAK1 (0.54) IRAK4IRAK1
SCHEMBL15416149 0.89 IRAK1 (0.54) IRAK4IRAK1
SCHEMBL15416148 0.89 IRAK1 (0.54) IRAK4IRAK1
SCHEMBL15431255 0.89 IRAK4 (0.58) IRAK4IRAK1CREBBPWNT1GSK3B
SCHEMBL15416633 0.89 IRAK4 (0.58) IRAK4IRAK1CREBBPWNT1GSK3B

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 4 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

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 117/4885CREBBP 2207/4885

“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