SCHEMBL4097396

SCHEMBL4097396

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.42
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NEK2 P51955 8/20 0.40
PLK1 P53350 2/20 0.40
NEK1 Q96PY6 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
NPY2R P49146 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MPL P40238 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL4011186 0.89 P2RY12 (0.44) ELANENEK2PLK1NEK1SMN1; SMN2
SCHEMBL4097357 0.89 KDM4E (0.42) KDM4EHPGDHSD17B10NEK2ALDH1A1
SCHEMBL4103444 0.85 RHOA (0.41) ELANENEK2PLK1NEK1ALDH1A1
SCHEMBL5316300 0.85 RHOA (0.41) ELANENEK2PLK1NEK1ALDH1A1
SCHEMBL4109448 0.84 ELANE (0.39) ELANEKDM4EUSP2HPGDNPSR1
SCHEMBL4872537 0.81 NEK2 (0.42) ELANEKDM4ENEK2PLK1NEK1
SCHEMBL4105016 0.80 MPL (0.49) ELANENEK2PLK1NEK1SMN1; SMN2
SCHEMBL4103442 0.78 P2RY12 (0.61) CYP1A2CYP2C19P2RY12
SCHEMBL4103027 0.78 P2RY12 (0.42) ELANES1PR1NPY2RMPLP2RY12
SCHEMBL5610909 0.78 KDM4E (0.41) ELANEKDM4EHPGDHSD17B10NEK2

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 4100/4885KDM4E 3376/4885USP2 4256/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 ELANE 3828/4885KDM4E 2316/4885USP2 4208/4885

“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.