SCHEMBL2345601

SCHEMBL2345601

N#Cc1ccn2ncc(-c3cccc(N[C@H]4CCCNC4)n3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.57
FLT3 P36888 4/20 0.47
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
LCK P06239 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
BLK P51451 1/20 0.47
IRAK1 P51617 1/20 0.47
SRPK1 Q96SB4 1/20 0.47
CCNT1 O60563 10/20 0.46
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
NRAS P01111 3/20 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
SCHEMBL2345606 1.00 IRAK4 (0.57) IRAK4FLT3CDK7CCNHLCK
SCHEMBL2344709 0.88 IRAK4 (0.54) IRAK4FLT3CDK7CCNHLCK
SCHEMBL2362885 0.88 IRAK4 (0.46) IRAK4FLT3CCNT1
SCHEMBL31383434 0.86 DRD2 (0.48) IRAK4CDK7CCNHCCNT1CCNK
SCHEMBL2362035 0.84 IRAK4 (0.47) IRAK4FLT3CDK7CCNHCCNT1
SCHEMBL2342829 0.84 PIM1 (0.42) IRAK4FLT3IRAK1CDK2
SCHEMBL2232040 0.84 IRAK4 (0.47) IRAK4FLT3CDK7CCNHCCNT1
SCHEMBL2364314 0.83 PIM1 (0.51) IRAK4FLT3IRAK1CCNT1
SCHEMBL2352280 0.83 PIM1 (0.51) IRAK4IRAK1CCNT1CDK2
SCHEMBL15167387 0.83 PIM1 (0.51) IRAK4IRAK1CCNT1CDK2

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-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 36/4885FLT3 20/4885CDK7 286/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IRAK4 48/4885FLT3 14/4885CDK7 50/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IRAK4 48/4885FLT3 14/4885CDK7 50/4885

“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.