SCHEMBL4103251

SCHEMBL4103251

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.37
NEK2 P51955 1/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RY12 Q9H244 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRK1 P41145 1/20 0.34
KCNMA1 Q12791 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 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
SCHEMBL5599737 0.93 P2RY12 (0.34) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4097530 0.91 ELANE (0.39) KDM4ESMN1; SMN2LMNANEK2HSD17B10
SCHEMBL4105130 0.88 NEK2 (0.42) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4114821 0.88 LMNA (0.41) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4097566 0.87 KDM4E (0.41) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4105089 0.86 KDM4E (0.39) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL5448530 0.86 KDM4E (0.41) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL27718480 0.85 KDM4E (0.38) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4098314 0.85 KDM4E (0.38) KDM4ESMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4098910 0.85 KDM4E (0.37) KDM4ESMN1; SMN2KMT2AMEN1LMNA

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
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-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 KDM4E 3376/4885SMN1; SMN2 3557/4885KMT2A 4642/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 KDM4E 2316/4885SMN1; SMN2 4121/4885KMT2A 4406/4885

“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.