SCHEMBL4287781

SCHEMBL4287781

Cc1cc(Nc2nccc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.43
MTOR P42345 3/20 0.42
CDK2 P24941 3/20 0.42
JAK3 P52333 2/20 0.42
CDK1 P06493 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 2/20 0.42
BRD4 O60885 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
PAK1 Q13153 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
SCHEMBL4279960 1.00 JAK2 (0.43) JAK2MTORCDK2JAK3CDK1
SCHEMBL4277867 0.91 JAK2 (0.46) JAK2CDK2JAK3CCNA2CCNA1
SCHEMBL4285347 0.91 JAK2 (0.46) JAK2CDK2JAK3CCNA2CCNA1
SCHEMBL4281844 0.90 JAK2 (0.41) JAK2MTORCDK2JAK3CDK1
SCHEMBL4277994 0.90 JAK2 (0.41) JAK2MTORCDK2JAK3CDK1
SCHEMBL4280000 0.87 CDK2 (0.43) MTORCDK2PIK3CAPIK3CGBRD4
SCHEMBL4279946 0.87 CDK2 (0.43) MTORCDK2PIK3CAPIK3CGBRD4
SCHEMBL4290386 0.84 CDK2 (0.49) JAK2MTORCDK2JAK3BRD4
SCHEMBL4284710 0.84 CDK2 (0.49) JAK2MTORCDK2JAK3BRD4
SCHEMBL4290885 0.84 JAK2 (0.44) JAK2JAK3PAK1

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 4729/4885MTOR 399/4885CDK2 1172/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885MTOR 295/4885CDK2 13/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885MTOR 173/4885CDK2 8/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885MTOR 171/4885CDK2 6/4885

“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.