SCHEMBL2347112

SCHEMBL2347112

O=C(O)c1ccn2ncc(-c3cccc(NC4CCNCC4)n3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.48
IRAK4 Q9NWZ3 11/20 0.48
RET P07949 2/20 0.44
IRAK1 P51617 2/20 0.43
LCK P06239 1/20 0.42
PDGFRB P09619 1/20 0.42
FLT3 P36888 1/20 0.42
CDK7 P50613 1/20 0.42
BLK P51451 1/20 0.42
CCNH P51946 1/20 0.42
KHK P50053 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
PIM1 P11309 3/20 0.40
PIM2 Q9P1W9 2/20 0.40
PIM3 Q86V86 1/20 0.40

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
SCHEMBL2344709 0.83 IRAK4 (0.54) CCNT1IRAK4RETIRAK1LCK
SCHEMBL15167404 0.83 LDHA (0.37) CCNT1IRAK4IRAK1PDGFRBFLT3
SCHEMBL15167400 0.83 LDHA (0.37) CCNT1IRAK4IRAK1PDGFRBFLT3
SCHEMBL3467265 0.81 IRAK4 (0.58) CCNT1IRAK4RETIRAK1LCK
SCHEMBL15167402 0.77 IRAK4 (0.36) CCNT1IRAK4
SCHEMBL2364314 0.74 PIM1 (0.51) CCNT1IRAK4IRAK1FLT3PIM1
SCHEMBL2364313 0.74 PIM1 (0.51) CCNT1IRAK4IRAK1FLT3PIM1
SCHEMBL2349322 0.74 IRAK4 (0.41) CCNT1IRAK4RETIRAK1PDGFRB
SCHEMBL2349328 0.74 IRAK4 (0.41) CCNT1IRAK4RETIRAK1PDGFRB
SCHEMBL15167387 0.73 PIM1 (0.51) CCNT1IRAK4IRAK1PIM1PIM2

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 8 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
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 CCNT1 587/4885IRAK4 36/4885RET 462/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 CCNT1 1120/4885IRAK4 48/4885RET 345/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 CCNT1 1120/4885IRAK4 48/4885RET 345/4885

“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.