SCHEMBL2342829

SCHEMBL2342829

N#Cc1ccn2ncc(-c3cccc(NC4CCCC(N)C4)n3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.42
PIM2 Q9P1W9 5/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
IRAK1 P51617 1/20 0.38
CTSK P43235 1/20 0.37
FLT3 P36888 1/20 0.36
CDK2 P24941 1/20 0.35

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
SCHEMBL2352280 0.89 PIM1 (0.51) PIM1PIM2IRAK4IRAK1CDK2
SCHEMBL15167387 0.89 PIM1 (0.51) PIM1PIM2IRAK4IRAK1CDK2
SCHEMBL2345601 0.84 IRAK4 (0.57) IRAK4IRAK1FLT3CDK2
SCHEMBL2345606 0.84 IRAK4 (0.57) IRAK4IRAK1FLT3CDK2
SCHEMBL2344709 0.84 IRAK4 (0.54) PIM1PIM2IRAK4IRAK1FLT3
SCHEMBL2364314 0.83 PIM1 (0.51) PIM1PIM2IRAK4IRAK1FLT3
SCHEMBL2364313 0.83 PIM1 (0.51) PIM1PIM2IRAK4IRAK1FLT3
SCHEMBL2348268 0.79 EGLN2 (0.49)
SCHEMBL15167182 0.77 JAK3 (0.58)
SCHEMBL2345343 0.77 JAK3 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-03-27 US claimed
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS BACH TANA JORDI (ES) 2013-08-15 US claimed
EP-2536728-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-12-26 EP claimed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO claimed
US-9206183-B2 Substituted pyrazolo[1,5-a]pyridines as JAK inhibitors ALMIRALL, S.A. (ES) 2015-12-08 US disclosed
US-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL SA (ES) 2015-04-30 US disclosed
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-03-27 US disclosed
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS BACH TANA JORDI (ES) 2013-08-15 US disclosed
EP-2536728-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-12-26 EP disclosed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 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 (3 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-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 PIM1 26/4885PIM2 42/4885IRAK4 36/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 PIM1 32/4885PIM2 34/4885IRAK4 48/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 PIM1 32/4885PIM2 34/4885IRAK4 48/4885

“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.