SCHEMBL2887522

SCHEMBL2887522

CN(c1ccc(Nc2nc(N)cc(Cl)n2)cc1F)c1ccnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.47
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP3A4 P08684 3/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
CIT O14578 1/20 0.34
MET P08581 2/20 0.34
AXL P30530 2/20 0.34
PRKCI P41743 1/20 0.34
EGFR P00533 1/20 0.33
TTK P33981 1/20 0.33
CDC7 O00311 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33

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
SCHEMBL4416215 0.86 ROCK2 (0.65) ROCK2CYP3A4METAXLCDC7
SCHEMBL2888017 0.78 ROCK2 (0.48) ROCK2SCN9ACYP3A4JAK3CIT
SCHEMBL2889907 0.78 JAK2 (0.45) ROCK2JAK2JAK1JAK3CIT
SCHEMBL2886200 0.77 ROCK2 (0.46) ROCK2CYP3A4JAK2JAK1JAK3
SCHEMBL5320887 0.74 ROCK2 (0.43) ROCK2SCN9AJAK2JAK1JAK3
SCHEMBL2887565 0.69 JAK2 (0.41) CYP3A4JAK2JAK1JAK3MET
SCHEMBL2881832 0.65 ROCK2 (0.69) ROCK2CYP3A4METAXLCDC7
SCHEMBL8332595 0.65 ROCK2 (0.76) ROCK2CYP3A4METFLT3
SCHEMBL2881826 0.64 JAK1 (0.50) JAK2JAK1JAK3CITAXL
SCHEMBL2877122 0.64 ROCK2 (1.00) ROCK2CYP3A4METAXLCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 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 (1 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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 ROCK2 4593/4885KCNH2 2791/4885SCN5A 1850/4885

“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.