SCHEMBL2347758

SCHEMBL2347758

NC1CCC(Nc2cccc(-c3cnn4ccccc34)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.52
PIM2 Q9P1W9 3/20 0.52
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
CCNT1 O60563 11/20 0.44
DYRK1A Q13627 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
FLT3 P36888 1/20 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
SCHEMBL2347761 1.00 PIM1 (0.52) PIM1PIM2JAK2JAK1JAK3
SCHEMBL2354276 0.89 PIM1 (0.52) PIM1PIM2JAK2JAK1JAK3
SCHEMBL2354275 0.89 PIM1 (0.52) PIM1PIM2JAK2JAK1JAK3
SCHEMBL2346827 0.88 CTSK (0.46) JAK2JAK1JAK3CCNT1DYRK1A
SCHEMBL3467265 0.86 IRAK4 (0.58) PIM1JAK2JAK1JAK3CCNT1
SCHEMBL2364699 0.86 PIM1 (0.51) PIM1JAK2JAK1JAK3CCNT1
SCHEMBL2351243 0.85 DYRK1A (0.45) JAK2JAK1JAK3CCNT1DYRK1A
SCHEMBL15167742 0.84 MAPK8 (0.46) PIM1JAK2JAK1JAK3CCNT1
SCHEMBL15167248 0.84 CCNT1 (0.48) PIM1JAK2JAK1JAK3CCNT1
SCHEMBL15167250 0.84 CCNT1 (0.48) PIM1JAK2JAK1JAK3CCNT1

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 42/4885JAK2 3/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 PIM1 32/4885PIM2 34/4885JAK2 3/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 PIM1 32/4885PIM2 34/4885JAK2 3/4885

“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.