SCHEMBL4290885

SCHEMBL4290885

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)c(C)c3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.44
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44
BCR P11274 1/20 0.44
PDGFRA P16234 1/20 0.44
JAK3 P52333 2/20 0.43
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
PLK1 P53350 1/20 0.41
BTK Q06187 3/20 0.40
PAK1 Q13153 1/20 0.40
CYP3A4 P08684 1/20 0.40
HRH2 P25021 1/20 0.40
CDK7 P50613 1/20 0.40
CD69 Q07108 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
MAP3K19 Q56UN5 1/20 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
SCHEMBL4281637 1.00 JAK2 (0.44) JAK2ABL1PDGFRBBCRPDGFRA
SCHEMBL4279789 0.89 JAK2 (0.42) JAK2ABL1PDGFRBBCRPDGFRA
SCHEMBL4287078 0.89 JAK2 (0.42) JAK2ABL1PDGFRBBCRPDGFRA
SCHEMBL4278009 0.89 PAK1 (0.42) JAK2ABL1BCRJAK3WNT1
SCHEMBL4277039 0.89 PAK1 (0.42) JAK2ABL1BCRJAK3WNT1
SCHEMBL4282107 0.89 TYK2 (0.46) JAK2ABL1PDGFRBBCRPDGFRA
SCHEMBL4285773 0.89 TYK2 (0.46) JAK2ABL1PDGFRBBCRPDGFRA
SCHEMBL4276158 0.87 CDK9 (0.45) JAK2ABL1PDGFRBBCRPDGFRA
SCHEMBL4279711 0.87 CDK9 (0.45) JAK2ABL1PDGFRBBCRPDGFRA
SCHEMBL4277090 0.87 JAK2 (0.43) JAK2JAK3JAK1PAK1IKBKB

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 8 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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 JAK2 1/4885ABL1 9/4885PDGFRB 74/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885ABL1 5/4885PDGFRB 53/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885ABL1 5/4885PDGFRB 55/4885

“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.