SCHEMBL4109448

SCHEMBL4109448

CCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(NC(C)C)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.39
MPL P40238 3/20 0.37
P2RX7 Q99572 1/20 0.37
NEK2 P51955 7/20 0.36
PLK1 P53350 2/20 0.36
NEK1 Q96PY6 2/20 0.36
NPY2R P49146 1/20 0.36
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL4104992 0.91 NEK2 (0.39) ELANENEK2NPY2RKDM4EHPGD
SCHEMBL4011186 0.84 P2RY12 (0.44) ELANEMPLP2RX7NEK2PLK1
SCHEMBL4097396 0.84 ELANE (0.42) ELANEMPLNEK2PLK1NEK1
SCHEMBL4109191 0.81 P2RY12 (0.55) CYP1A2
SCHEMBL4103444 0.80 RHOA (0.41) ELANENEK2PLK1NEK1ALDH1A1
SCHEMBL5316300 0.80 RHOA (0.41) ELANENEK2PLK1NEK1ALDH1A1
SCHEMBL4103864 0.80 KDM4E (0.40) ELANENEK2KDM4EHPGDHSD17B10
SCHEMBL4098179 0.79 NEK2 (0.39) NEK2KDM4EHSD17B10ALDH1A1
SCHEMBL4872537 0.76 NEK2 (0.42) ELANENEK2PLK1NEK1KDM4E
SCHEMBL4097357 0.76 KDM4E (0.42) NEK2KDM4EHPGDHSD17B10ALDH1A1

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-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
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 4100/4885MPL 47/4885P2RX7 9/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 ELANE 3828/4885MPL 22/4885P2RX7 9/4885

“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.