SCHEMBL2016368

SCHEMBL2016368

Clc1nc(N2CC3CCC2C3)c2cc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.39
▸ HRH4 Q9H3N8 1/20 0.36
▸ JAK3 P52333 8/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 4/20 0.34
▸ KIT P10721 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34
▸ METTL3 Q86U44 1/20 0.34
▸ LCK P06239 1/20 0.33

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
SCHEMBL2020841 0.71 PAK4 (0.42) PAK4JAK3JAK2JAK1
SCHEMBL1017284 0.70 JAK3 (0.58) PAK4HRH4JAK3JAK2KIT
SCHEMBL2016056 0.69 OPRM1 (0.41) JAK3JAK2JAK1
SCHEMBL2016058 0.69 OPRM1 (0.41) JAK3JAK2JAK1
SCHEMBL2016756 0.69 BTK (0.39) PAK4JAK3JAK2JAK1PIK3CA
SCHEMBL1018704 0.69 JAK3 (0.59) PAK4HRH4JAK3JAK2KIT
SCHEMBL16764789 0.69 JAK3 (0.61) JAK3JAK1
SCHEMBL25080263 0.68 ATR (0.51) PIK3CALCK
SCHEMBL25080302 0.68 ATR (0.51) PIK3CALCK
SCHEMBL13392108 0.68 JAK2 (0.57) JAK3JAK2JAK1

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
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 — — US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 — — US disclosed
EP-2142550-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS Palau Pharma, S.A. (ES) 2010-01-13 — — EP disclosed
WO-2008119792-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S. A. (ES) 2008-10-09 — — 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PAK4 603/4885HRH4 1763/4885JAK3 1/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PAK4 603/4885HRH4 1763/4885JAK3 1/4885

“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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