SCHEMBL2214458

SCHEMBL2214458

NCCC(C(=O)Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
DCLK1 O15075 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42
ROS1 P08922 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL2213533 0.90 ROCK2 (0.35) ROCK2CDC7PLK4CHEK1DCLK1
SCHEMBL2215331 0.88 SRC (0.33) ROCK2CDC7PLK4CHEK1DCLK1
SCHEMBL2212315 0.83 MAPT (0.41) ALDH1A1MAPTHSD17B10
SCHEMBL2215562 0.82 SUV39H2 (0.34) MAPK1ALDH1A1
SCHEMBL2216148 0.80 SMN1; SMN2 (0.39) CDK2ALDH1A1POLBMAPTHSD17B10
SCHEMBL2211719 0.80 LOXL2 (0.35) CDK2KDRALDH1A1POLBMAPT
SCHEMBL2214178 0.78 KDM4E (0.39) ALDH1A1MAPTHSD17B10
SCHEMBL2215322 0.78 KDM4E (0.37) ALDH1A1MAPTHSD17B10
SCHEMBL2216183 0.78 ALDH1A1 (0.42) MAPK13CHEK2FGFR1FLT4LIMK1
SCHEMBL2884113 0.77 SMN1; SMN2 (0.37) CHEK2PIM1CDK2MAPK8GSK3B

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 2979/4885CDC7 501/4885PLK4 444/4885

“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.