SCHEMBL4290300

SCHEMBL4290300

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(C(=O)Nc4ccccn4)cc3)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.49
JAK3 P52333 3/20 0.49
CAMK2D Q13557 5/20 0.43
ABL1 P00519 4/20 0.42
PDGFRB P09619 3/20 0.42
BCR P11274 3/20 0.42
PDGFRA P16234 3/20 0.42
CDC7 O00311 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
GSK3B P49841 2/20 0.42
WNT1 P04628 1/20 0.42
DYRK1A Q13627 1/20 0.42
MAPK8 P45983 1/20 0.41
PIK3CG P48736 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
HDAC1 Q13547 1/20 0.41
KIT P10721 1/20 0.41
ABL2 P42684 1/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41

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
SCHEMBL4276699 1.00 JAK2 (0.49) JAK2JAK3CAMK2DABL1PDGFRB
SCHEMBL4278610 0.92 JAK2 (0.47) JAK2JAK3CAMK2DABL1PDGFRB
SCHEMBL4279799 0.92 JAK2 (0.47) JAK2JAK3CAMK2DABL1PDGFRB
SCHEMBL4277867 0.83 JAK2 (0.46) JAK2JAK3GSK3B
SCHEMBL4285347 0.83 JAK2 (0.46) JAK2JAK3GSK3B
SCHEMBL4277941 0.81 JAK2 (0.51) JAK2JAK3MAPK8HDAC1
SCHEMBL4290902 0.81 JAK2 (0.51) JAK2JAK3MAPK8HDAC1
SCHEMBL4284617 0.81 CDK2 (0.45) JAK2JAK3CAMK2DGSK3BPIK3CG
SCHEMBL4284359 0.81 CDK2 (0.45) JAK2JAK3CAMK2DGSK3BPIK3CG
SCHEMBL4277988 0.79 JAK2 (0.46) JAK2JAK3CAMK2DABL1PDGFRB

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
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 JAK2 4729/4885JAK3 4792/4885CAMK2D 1034/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885CAMK2D 764/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885CAMK2D 895/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885CAMK2D 968/4885

“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.