SCHEMBL4103192

SCHEMBL4103192

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.40
NEK2 P51955 5/20 0.38
PLK1 P53350 1/20 0.38
NEK1 Q96PY6 1/20 0.38
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP2C19 P33261 1/20 0.34
P2RY12 Q9H244 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MPL P40238 2/20 0.33
P2RX7 Q99572 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4097566 0.90 KDM4E (0.41) NEK2POLBKDM4EP2RY12LMNA
SCHEMBL4872537 0.87 NEK2 (0.42) ELANENEK2PLK1NEK1KDM4E
SCHEMBL4099858 0.85 ELANE (0.41) ELANENEK2PLK1NEK1KDM4E
SCHEMBL4097530 0.85 ELANE (0.39) ELANENEK2PLK1NEK1KDM4E
SCHEMBL4104971 0.84 ELANE (0.38) ELANENEK2PLK1NEK1KDM4E
SCHEMBL4106645 0.80 P2RY12 (0.57) CYP2C19P2RY12CYP1A2CYP2C9
SCHEMBL4011186 0.80 P2RY12 (0.44) ELANENEK2PLK1NEK1POLB
SCHEMBL4097396 0.78 ELANE (0.42) ELANENEK2PLK1NEK1KDM4E
SCHEMBL27698068 0.77 P2RY12 (0.43) CYP2C19P2RY12ALDH1A1CYP1A2CYP2C9
SCHEMBL4114821 0.77 LMNA (0.41) ELANENEK2POLBKDM4EP2RY12

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 6 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
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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.