SCHEMBL18049538

SCHEMBL18049538

CCOC(=O)c1cn(C)nc1C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.48
▸ KDM4E B2RXH2 7/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.43
▸ BAZ2A Q9UIF9 1/20 0.43
▸ JMJD6 Q6NYC1 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41

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
SCHEMBL965934 0.88 GAA (0.60) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL18134650 0.87 GAA (0.47) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8785540 0.85 GAA (0.48) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5720281 0.82 BAZ2B (0.46) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1194663 0.80 LMNA (0.46) GAAKDM4EALDH1A1POLBLMNA
SCHEMBL2087062 0.77 KDM4E (0.48) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL18134669 0.77 KDM4E (0.44) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2089325 0.77 KDM4E (0.50) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3267578 0.76 TSHR (0.50) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4698208 0.76 TSHR (0.50) GAAKDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3267996-B1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2020-11-11 — — EP disclosed
US-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2019-06-25 — — US disclosed
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 — — US disclosed
EP-3267996-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2018-01-17 — — EP disclosed
WO-2016144846-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 — — 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 (2 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-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 GAA 2123/4885KDM4E 323/4885HSD17B10 3036/4885
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 GAA 2123/4885KDM4E 323/4885HSD17B10 3036/4885

“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.

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