SCHEMBL15428599

SCHEMBL15428599

O=C(O)c1cnn2ccc(Nc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.68
JAK1 P23458 1/20 0.68
TYK2 P29597 1/20 0.68
JAK3 P52333 1/20 0.68
AURKA O14965 7/20 0.56
MAPK8 P45983 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
UGT1A1 P22309 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
PMP22 Q01453 1/20 0.51

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
SCHEMBL16747660 0.91 JAK2 (0.66) JAK2JAK1TYK2JAK3AURKA
SCHEMBL406802 0.87 JAK2 (0.71) JAK2JAK1TYK2JAK3AURKA
SCHEMBL406314 0.83 JAK2 (0.61) JAK2JAK1TYK2JAK3LMNA
SCHEMBL10191608 0.83 JAK2 (0.61) JAK2JAK1TYK2JAK3LMNA
SCHEMBL15428610 0.82 JAK2 (0.49) JAK2JAK1TYK2JAK3AURKA
SCHEMBL403558 0.82 JAK2 (0.62) JAK2JAK1TYK2JAK3LMNA
SCHEMBL404082 0.81 JAK2 (1.00) JAK2JAK1TYK2JAK3AURKA
SCHEMBL400999 0.81 TAS2R14 (0.60) JAK2JAK1TYK2JAK3POLB
SCHEMBL3175273 0.78 KDM4E (0.55) ALDH1A1MEN1LMNADHODHKMT2A
SCHEMBL402656 0.76 RXFP1 (0.56) JAK2JAK1TYK2JAK3AURKA

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-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US 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 (2 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 18/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 18/4885

“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.