SCHEMBL2234496

SCHEMBL2234496

Clc1cnc(-c2cnn3ccncc23)nc1NC1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 12/20 0.53
CDK9 P50750 10/20 0.53
CCNE1 P24864 9/20 0.53
CDK2 P24941 9/20 0.53
CCNK O75909 8/20 0.53
CDK12 Q9NYV4 8/20 0.53
CDK7 P50613 7/20 0.53
CCNH P51946 6/20 0.53
MNAT1 P51948 5/20 0.53
PRKCI P41743 3/20 0.40
MAPK3 P27361 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CDC42BPB Q9Y5S2 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
PRKCZ Q05513 1/20 0.38
CRBN Q96SW2 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
SCHEMBL2234588 1.00 CCNT1 (0.53) CCNT1CDK9CCNE1CDK2CCNK
SCHEMBL2231936 0.89 CDK2 (0.44) CCNT1CDK9CCNE1CDK2CCNK
SCHEMBL2232768 0.89 CCNT1 (0.44) CCNT1CDK9CCNE1CDK2CCNK
SCHEMBL2232771 0.89 CCNT1 (0.44) CCNT1CDK9CCNE1CDK2CCNK
SCHEMBL2346892 0.86 CCNT1 (0.70) CCNT1CDK9CCNE1CDK2CCNK
SCHEMBL2346895 0.86 CCNT1 (0.70) CCNT1CDK9CCNE1CDK2CCNK
SCHEMBL2231095 0.82 CDK7 (0.48) CCNT1CDK9CCNE1CDK2CCNK
SCHEMBL2231093 0.82 CDK7 (0.48) CCNT1CDK9CCNE1CDK2CCNK
SCHEMBL15167373 0.79 JAK2 (0.47)
SCHEMBL2349185 0.79 JAK2 (0.47)

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-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-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 CCNT1 587/4885CDK9 192/4885CCNE1 2016/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 CCNT1 1120/4885CDK9 45/4885CCNE1 1161/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 CCNT1 1120/4885CDK9 45/4885CCNE1 1161/4885

“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.