SCHEMBL4872537

SCHEMBL4872537

CCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2N)o1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 11/20 0.42
PLK1 P53350 2/20 0.42
NEK1 Q96PY6 2/20 0.42
ELANE P08246 5/20 0.42
P2RY12 Q9H244 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL4114821 0.89 LMNA (0.41) NEK2ELANEP2RY12KDM4ELMNA
SCHEMBL4103192 0.87 ELANE (0.40) NEK2PLK1NEK1ELANEP2RY12
SCHEMBL4099858 0.86 ELANE (0.41) NEK2PLK1NEK1ELANEP2RY12
SCHEMBL4097530 0.86 ELANE (0.39) NEK2PLK1NEK1ELANEP2RY12
SCHEMBL4104971 0.85 ELANE (0.38) NEK2PLK1NEK1ELANEP2RY12
SCHEMBL4011186 0.82 P2RY12 (0.44) NEK2PLK1NEK1ELANEP2RY12
SCHEMBL4873002 0.82 CYP3A4 (0.45) P2RY12CYP2C19
SCHEMBL4097396 0.81 ELANE (0.42) NEK2PLK1NEK1ELANEP2RY12
SCHEMBL4097532 0.80 P2RY12 (0.60) P2RY12CYP2C19
SCHEMBL4105130 0.78 NEK2 (0.42) NEK2ELANEP2RY12KDM4ELMNA

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
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
CN-101263133-A New pyridine analogues ASTRAZENECA AB (SE) 2008-09-10 CN disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
US-20080044570-A1 Method for Producing a Thin-Film Chalcopyrite Compound SOLARONIX SA (CH) 2008-02-21 US disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 NEK2 2807/4885PLK1 3122/4885NEK1 2744/4885

“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.