SCHEMBL4284072

SCHEMBL4284072

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4C[C@@H]5C[C@H]4CN5C)nc3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.46
KCNH2 Q12809 8/20 0.46
JAK2 O60674 8/20 0.45
JAK3 P52333 1/20 0.45
WNT1 P04628 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
TYK2 P29597 3/20 0.43
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
JAK1 P23458 2/20 0.40

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
SCHEMBL4290885 0.87 JAK2 (0.44) JAK2JAK3WNT1GSK3BDYRK1A
SCHEMBL4281637 0.87 JAK2 (0.44) JAK2JAK3WNT1GSK3BDYRK1A
SCHEMBL4287078 0.86 JAK2 (0.42) JAK2JAK3WNT1GSK3BDYRK1A
SCHEMBL4279789 0.86 JAK2 (0.42) JAK2JAK3WNT1GSK3BDYRK1A
SCHEMBL4277364 0.85 SYK (0.48) CHRNA7KCNH2JAK2
SCHEMBL4281464 0.85 SYK (0.48) CHRNA7KCNH2JAK2
SCHEMBL4281990 0.85 JAK2 (0.41) JAK2JAK3WNT1GSK3BDYRK1A
SCHEMBL4287617 0.85 JAK2 (0.41) JAK2JAK3WNT1GSK3BDYRK1A
SCHEMBL4278617 0.83 CHRNA7 (0.48) CHRNA7KCNH2TYK2
SCHEMBL4282062 0.83 CHRNA7 (0.48) CHRNA7KCNH2TYK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 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 (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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4430/4885KCNH2 2389/4885JAK2 1/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4409/4885KCNH2 3103/4885JAK2 1/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4368/4885KCNH2 3162/4885JAK2 1/4885

“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.