SCHEMBL4281882

SCHEMBL4281882

Cc1cc(Nc2nccc(-c3cnc4c(c3)CN3CCCC3C(=O)N4)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.37
CCNA2 P20248 3/20 0.37
CCNA1 P78396 3/20 0.37
BTK Q06187 2/20 0.37
EGFR P00533 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
PAK1 Q13153 1/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
PIM1 P11309 1/20 0.35
CDK4 P11802 1/20 0.35
CCND3 P30281 1/20 0.35
GSK3B P49841 1/20 0.35
CDK1 P06493 2/20 0.35
ABL1 P00519 2/20 0.34
PDGFRB P09619 2/20 0.34
KIT P10721 2/20 0.34
ACVR1 Q04771 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL4277206 1.00 CDK2 (0.37) CDK2CCNA2CCNA1BTKEGFR
SCHEMBL15393308 0.84 PAK1 (0.39) CDK2CCNA2CCNA1EGFRTBK1
SCHEMBL4425261 0.84 PAK1 (0.39) CDK2CCNA2CCNA1EGFRTBK1
SCHEMBL4284581 0.79 PAK1 (0.39) CDK2CCNA2CCNA1PAK1JAK2
SCHEMBL4291726 0.79 PAK1 (0.39) CDK2CCNA2CCNA1PAK1JAK2
SCHEMBL4284314 0.79 PAK1 (0.39) CDK2CCNA2CCNA1PAK1JAK2
SCHEMBL4290677 0.79 PAK1 (0.39) CDK2CCNA2CCNA1PAK1JAK2
SCHEMBL4284672 0.79 PAK1 (0.39) CDK2CCNA2CCNA1PAK1JAK2
SCHEMBL13662000 0.78 BRD4 (0.42) CDK2CCNA2CCNA1BTKEGFR
SCHEMBL4284768 0.77 PAK1 (0.38) CDK2PAK1JAK2JAK3

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 CDK2 1172/4885CCNA2 1498/4885CCNA1 2162/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 13/4885CCNA2 308/4885CCNA1 529/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 8/4885CCNA2 273/4885CCNA1 401/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 6/4885CCNA2 291/4885CCNA1 429/4885

“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.