SCHEMBL2233900

SCHEMBL2233900

COc1ccnc(-c2cnn3ccccc23)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.52
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
JAK2 O60674 12/20 0.43
JAK1 P23458 12/20 0.43
JAK3 P52333 12/20 0.43
EGFR P00533 1/20 0.40
ACVR2A P27037 2/20 0.39
TGFBR2 P37173 2/20 0.39
TGFBR1 P36897 2/20 0.39
BMP4 P12644 1/20 0.37

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
SCHEMBL2231287 0.84 ACVR2A (0.39) DYRK1ACCNKCDK12ACVR2ATGFBR2
SCHEMBL12346526 0.81 ACVR2A (0.41) DYRK1AACVR2ATGFBR2TGFBR1
SCHEMBL16796062 0.79 DYRK1A (0.54) DYRK1ACCNKCDK12JAK2JAK1
SCHEMBL2346355 0.79 DYRK1A (0.52) DYRK1ACCNKCDK12JAK2JAK1
SCHEMBL2230967 0.79 DYRK1A (0.52) DYRK1ACCNKCDK12JAK2JAK1
SCHEMBL2230857 0.79 ACVR2A (0.40) ACVR2ATGFBR2TGFBR1
SCHEMBL2352026 0.76 JAK2 (0.46) DYRK1ACCNKCDK12JAK2JAK1
SCHEMBL2348291 0.76 DYRK1A (0.44) DYRK1ACCNKCDK12JAK2JAK1
SCHEMBL2230981 0.72 JAK2 (0.46) DYRK1ACCNKCDK12JAK2JAK1
SCHEMBL2230986 0.72 JAK2 (0.46) DYRK1ACCNKCDK12JAK2JAK1

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 16 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
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 DYRK1A 2094/4885CCNK 686/4885CDK12 588/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 DYRK1A 1212/4885CCNK 380/4885CDK12 400/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 DYRK1A 1212/4885CCNK 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.