SCHEMBL2213533

SCHEMBL2213533

NCC(C(=O)Nc1cccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.35
ROCK1 Q13464 2/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
DCLK1 O15075 1/20 0.34
MAPK13 O15264 1/20 0.34
PDPK1 O15530 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
RPS6KA5 O75582 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
PRKCG P05129 1/20 0.34
FYN P06241 1/20 0.34
CDK1 P06493 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 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
SCHEMBL2214458 0.90 ROCK2 (0.42) ROCK2ROCK1CDC7PLK4CHEK1
SCHEMBL2215562 0.88 SUV39H2 (0.34) MAPK1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL2215331 0.82 SRC (0.33) ROCK2ROCK1CDC7PLK4CHEK1
SCHEMBL1244484 0.81 NPSR1 (0.39) ROCK2ROCK1CDC7PLK4CHEK1
SCHEMBL2214767 0.80 SMN1; SMN2 (0.38) MAPK1TP53SMN1; SMN2MAPTTSHR
SCHEMBL2213715 0.80 SMN1; SMN2 (0.38) ROCK2ROCK1TP53SMN1; SMN2MAPT
SCHEMBL2212315 0.79 MAPT (0.41) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2214909 0.78 LOXL2 (0.38) ROCK2MAPK1AURKBTP53SMN1; SMN2
SCHEMBL2215156 0.78 KDM4E (0.37) POLBTP53THRBSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL1244743 0.77 NPSR1 (0.36) ROCK2ROCK1CDC7PLK4CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 US disclosed
EP-1797096-A2 NOVEL PYRAZOLOPYRIMIDINES Altana Pharma AG (DE) 2007-06-20 EP disclosed
WO-2006027346-A2 NOVEL PYRAZOLOPYRIMIDINES ALTANA PHARMA AG (DE) 2006-03-16 WO 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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 ROCK2 2979/4885ROCK1 3057/4885CDC7 501/4885

“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.