SCHEMBL2230601

SCHEMBL2230601

N#Cc1ccn2ncc(-c3nccc(NCC(F)(F)F)n3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.39
CLK4 Q9HAZ1 10/20 0.39
CYP3A4 P08684 9/20 0.39
CYP2C19 P33261 9/20 0.39
CYP2D6 P10635 7/20 0.39
LMNA P02545 5/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 5/20 0.39
MAPK1 P28482 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
DYRK1A Q13627 2/20 0.37
CYP2C9 P11712 5/20 0.37
TP53 P04637 3/20 0.37
USP2 O75604 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CDK2 P24941 4/20 0.36
CDK4 P11802 1/20 0.36
GLA P06280 2/20 0.34

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
SCHEMBL2235109 0.90 NUDT1 (0.41) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL12346477 0.85 CDK4 (0.40) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL2231294 0.82 PIM1 (0.45) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL2234805 0.82 CYP1A2 (0.61) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL2230947 0.80 PIM1 (0.41) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL2233643 0.76 CLK4 (0.36) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL12454594 0.76 PIK3CA (0.37) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL2297892 0.76 JAK2 (0.56) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL2232663 0.76 JAK2 (0.56) CYP1A2CLK4CYP3A4CYP2C19CYP2D6
SCHEMBL2364610 0.76 JAK2 (0.55) JAK2JAK1JAK3

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 22 patents — showing the first 20. 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 claimed
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
EP-2360158-A1 Pyrazole derivatives as jak inhibitors Almirall, S.A. (ES) 2011-08-24 EP claimed
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-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
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

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 CYP1A2 530/4885CLK4 1966/4885CYP3A4 350/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 CYP1A2 471/4885CLK4 2457/4885CYP3A4 326/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 CYP1A2 471/4885CLK4 2457/4885CYP3A4 326/4885

“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.