SCHEMBL15032808

SCHEMBL15032808

C[Si](C)(C)CCOCn1cc(C2CCOCC2)c2c(-c3cccc(N)c3)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.37
▸ CSF1R P07333 1/20 0.35
▸ ADK P55263 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ METTL3 Q86U44 1/20 0.32
▸ DGAT1 O75907 3/20 0.32
▸ FYN P06241 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ RET P07949 1/20 0.30

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
SCHEMBL16259149 0.90 DGAT1 (0.38) JAK3ADKSRCDGAT1
SCHEMBL15032809 0.88 JAK3 (0.41) JAK3ADKMETTL3DGAT1
SCHEMBL15032829 0.86 METTL3 (0.34) ADKLCKMETTL3DGAT1EGFR
SCHEMBL15032855 0.82 JAK3 (0.42) JAK3ADKDGAT1
SCHEMBL16245088 0.82 JAK3 (0.60) JAK3
SCHEMBL16245092 0.82 BTK (0.43) JAK3ADKDGAT1EGFRPIK3CD
SCHEMBL20195322 0.81 DGAT1 (0.31) DGAT1
SCHEMBL16245124 0.81 JAK3 (0.36) JAK3ADKLCKDGAT1EGFR
SCHEMBL15032867 0.78 ALDH1A1 (0.36) ADKSRCLCKTEKBRD4
SCHEMBL15032833 0.77 SRC (0.33) ADKSRCLCKHCKTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 — — EP disclosed
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 — — EP disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 — — US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 — — US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 — — US disclosed
WO-2013085802-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — 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-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS JAK3, JAK1, JAK2 JAK3 1/4885CSF1R 664/4885ADK 363/4885

“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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