SCHEMBL2232040

SCHEMBL2232040

N#Cc1ccn2ncc(-c3nccc(N[C@@H]4CCCNC4)n3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.47
CCNK O75909 7/20 0.45
CDK12 Q9NYV4 7/20 0.45
CCNT1 O60563 5/20 0.45
CCNE1 P24864 5/20 0.45
CDK2 P24941 5/20 0.45
CDK9 P50750 5/20 0.45
CDK7 P50613 4/20 0.45
CCNH P51946 4/20 0.45
MNAT1 P51948 3/20 0.45
FLT3 P36888 3/20 0.40
CTSK P43235 1/20 0.39
PDPK1 O15530 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL2362035 1.00 IRAK4 (0.47) IRAK4CCNKCDK12CCNT1CCNE1
SCHEMBL12454041 0.88 CCNT1 (0.46) IRAK4CCNKCDK12CCNT1CCNE1
SCHEMBL2231095 0.85 CDK7 (0.48) IRAK4CCNKCDK12CCNT1CCNE1
SCHEMBL15167147 0.85 CCNT1 (0.62) IRAK4CCNKCDK12CCNT1CCNE1
SCHEMBL2231093 0.85 CDK7 (0.48) IRAK4CCNKCDK12CCNT1CCNE1
SCHEMBL15167149 0.85 CCNT1 (0.62) IRAK4CCNKCDK12CCNT1CCNE1
SCHEMBL2345601 0.84 IRAK4 (0.57) IRAK4CCNKCDK12CCNT1CCNE1
SCHEMBL2345606 0.84 IRAK4 (0.57) IRAK4CCNKCDK12CCNT1CCNE1
SCHEMBL2234477 0.84 PIM1 (0.46) IRAK4CCNT1CDK2CDK9FLT3
SCHEMBL2234475 0.84 PIM1 (0.46) IRAK4CCNT1CDK2CDK9FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206183-B2 Substituted pyrazolo[1,5-a]pyridines as JAK inhibitors ALMIRALL, S.A. (ES) 2015-12-08 US disclosed
US-9206183-B2 Substituted pyrazolo[1,5-a]pyridines as JAK inhibitors ALMIRALL, S.A. (ES) 2015-12-08 US disclosed
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-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL SA (ES) 2015-04-30 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-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-03-27 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
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS BACH TANA JORDI (ES) 2013-08-15 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
EP-2360158-A1 Pyrazole derivatives as jak inhibitors Almirall, S.A. (ES) 2011-08-24 EP 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 IRAK4 36/4885CCNK 686/4885CDK12 588/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IRAK4 48/4885CCNK 380/4885CDK12 400/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IRAK4 48/4885CCNK 380/4885CDK12 400/4885

“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.