SCHEMBL4972207

SCHEMBL4972207

CC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.64
JAK3 P52333 15/20 0.64
NTRK1 P04629 2/20 0.48
JAK1 P23458 1/20 0.48
KCNH2 Q12809 1/20 0.48
SOS1 Q07889 1/20 0.38
ALK Q9UM73 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
SCHEMBL14675794 1.00 JAK2 (0.64) JAK2JAK3NTRK1JAK1KCNH2
SCHEMBL4972280 0.96 JAK2 (0.60) JAK2JAK3NTRK1JAK1KCNH2
SCHEMBL4973056 0.92 JAK2 (0.67) JAK2JAK3NTRK1JAK1KCNH2
SCHEMBL4974079 0.89 JAK2 (0.64) JAK2JAK3NTRK1JAK1KCNH2
SCHEMBL4980198 0.86 JAK2 (0.64) JAK2JAK3
SCHEMBL4972182 0.84 JAK2 (0.48) JAK2JAK3NTRK1JAK1KCNH2
SCHEMBL4972548 0.81 JAK2 (0.46) JAK2JAK3NTRK1JAK1KCNH2
SCHEMBL4972196 0.81 JAK2 (0.45) JAK2JAK3NTRK1KCNH2
SCHEMBL16824760 0.80 JAK2 (0.55) JAK2JAK3NTRK1JAK1KCNH2
SCHEMBL16824759 0.80 JAK2 (0.55) JAK2JAK3NTRK1JAK1KCNH2

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-9034311-B2 Pyridin-2(1 H)-one derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2015-05-19 US disclosed
US-20140271543-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-09-18 US disclosed
EP-2739616-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS Almirall, S.A. (ES) 2014-06-11 EP disclosed
WO-2013017461-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-02-07 WO disclosed
WO-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 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 (1 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-20140271543-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885NTRK1 1106/4885

“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.