SCHEMBL3467265

SCHEMBL3467265

c1cc(NC2CCNCC2)nc(-c2cnn3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.58
CCNT1 O60563 3/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
IRAK1 P51617 2/20 0.48
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
RET P07949 2/20 0.47
FLT3 P36888 2/20 0.47
LCK P06239 1/20 0.47
PDGFRB P09619 1/20 0.47
BLK P51451 1/20 0.47
CCNK O75909 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
MNAT1 P51948 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL2346827 0.88 CTSK (0.46) IRAK4CCNT1CDK7CCNHFLT3
SCHEMBL2364699 0.86 PIM1 (0.51) IRAK4CCNT1CDK7CCNHFLT3
SCHEMBL2354275 0.86 PIM1 (0.52) IRAK4CCNT1FLT3JAK2JAK1
SCHEMBL2354276 0.86 PIM1 (0.52) IRAK4CCNT1FLT3JAK2JAK1
SCHEMBL2347758 0.86 PIM1 (0.52) IRAK4CCNT1FLT3JAK2JAK1
SCHEMBL2347761 0.86 PIM1 (0.52) IRAK4CCNT1FLT3JAK2JAK1
SCHEMBL2351243 0.85 DYRK1A (0.45) IRAK4CCNT1CDK7CCNHFLT3
SCHEMBL24542363 0.85 IRAK4 (0.60) IRAK4MAPK8IRAK1CDK7CCNH
SCHEMBL2344709 0.84 IRAK4 (0.54) IRAK4CCNT1MAPK8MAPK9IRAK1
SCHEMBL10239486 0.82 CDK2 (0.53) IRAK4CCNT1IRAK1CDK7CCNH

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 5 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
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
WO-2010072823-A1 PYRAZOLE[1,5a]PYRIDINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2010-07-01 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 IRAK4 36/4885CCNT1 587/4885MAPK8 641/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IRAK4 48/4885CCNT1 1120/4885MAPK8 258/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IRAK4 48/4885CCNT1 1120/4885MAPK8 258/4885

“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.