SCHEMBL2345668

SCHEMBL2345668

O=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](Nc2cncc(-c3cnn4ccccc34)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 3/20 0.42
JAK2 O60674 9/20 0.41
JAK1 P23458 9/20 0.41
JAK3 P52333 8/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ENPP2 Q13822 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL12454049 1.00 GRIN2B (0.42) GRIN2BCYP2D6CYP2C9CYP3A4JAK2
SCHEMBL14312051 0.88 JAK2 (0.42) JAK2JAK1JAK3
SCHEMBL15167652 0.88 JAK2 (0.42) JAK2JAK1JAK3
SCHEMBL2361625 0.83 JAK2 (0.54) JAK2JAK1JAK3
SCHEMBL376538 0.83 GRIN2B (0.44) GRIN2BCYP2D6CYP2C9CYP3A4JAK2
SCHEMBL377087 0.83 GRIN2B (0.44) GRIN2BCYP2D6CYP2C9CYP3A4JAK2
SCHEMBL2361858 0.73 CDK2 (0.44) CYP3A4JAK2JAK1JAK3
SCHEMBL2343524 0.72 JAK2 (0.58) JAK2JAK1JAK3
SCHEMBL376370 0.72 CCNK (0.42) CYP3A4JAK2JAK1JAK3
SCHEMBL376436 0.71 MAPK8 (0.42) GRIN2BCYP2D6CYP2C9CYP3A4ALDH1A1

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
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 GRIN2B 2741/4885CYP2D6 1048/4885CYP2C9 484/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 GRIN2B 2276/4885CYP2D6 729/4885CYP2C9 323/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 GRIN2B 2276/4885CYP2D6 729/4885CYP2C9 323/4885

“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.