SCHEMBL4097530

SCHEMBL4097530

CCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2NC)o1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.39
NEK2 P51955 5/20 0.39
PLK1 P53350 1/20 0.39
NEK1 Q96PY6 1/20 0.39
P2RY12 Q9H244 1/20 0.36
MPL P40238 3/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
TNK2 Q07912 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4103251 0.91 KDM4E (0.39) NEK2P2RY12KDM4ELMNAMALT1
SCHEMBL4872537 0.86 NEK2 (0.42) ELANENEK2PLK1NEK1P2RY12
SCHEMBL4103192 0.85 ELANE (0.40) ELANENEK2PLK1NEK1P2RY12
SCHEMBL4099858 0.85 ELANE (0.41) ELANENEK2PLK1NEK1P2RY12
SCHEMBL5599737 0.84 P2RY12 (0.34) NEK2P2RY12KDM4ELMNAMALT1
SCHEMBL4104971 0.83 ELANE (0.38) ELANENEK2PLK1NEK1P2RY12
SCHEMBL4103174 0.81 P2RY12 (0.57) P2RY12CYP2C19
SCHEMBL4105114 0.81 NEK2 (0.42) ELANENEK2PLK1NEK1P2RY12
SCHEMBL5391833 0.81 P2RY12 (0.42) NEK2PLK1NEK1P2RY12CYP2C19
SCHEMBL4011186 0.79 P2RY12 (0.44) ELANENEK2PLK1NEK1P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
CN-101137643-A Novel pyridine compounds ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 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 (2 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 ELANE 4100/4885NEK2 2025/4885PLK1 2705/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 ELANE 3828/4885NEK2 1807/4885PLK1 2126/4885

“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.