SCHEMBL4110344

SCHEMBL4110344

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 5/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LGMN Q99538 2/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
IKBKB O14920 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNMA1 Q12791 1/20 0.36
PLK1 P53350 1/20 0.36
NEK1 Q96PY6 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4097357 0.89 KDM4E (0.42) NEK2LMNAKDM4EKMT2AMEN1
SCHEMBL5610909 0.88 KDM4E (0.41) NEK2LMNAKDM4EKMT2AMEN1
SCHEMBL4103864 0.87 KDM4E (0.40) NEK2LMNAKDM4EKMT2AMEN1
SCHEMBL4098866 0.87 KDM4E (0.40) NEK2LMNAKDM4EKMT2AMEN1
SCHEMBL4098179 0.86 NEK2 (0.39) NEK2LMNAKDM4EKMT2AMEN1
SCHEMBL4104992 0.85 NEK2 (0.39) NEK2LMNAKDM4EKMT2AMEN1
SCHEMBL4099757 0.85 MAPT (0.46) NEK2LMNAKDM4EMAPTMAPK1
SCHEMBL4114821 0.85 LMNA (0.41) NEK2LMNAKDM4EKMT2AMEN1
SCHEMBL4110350 0.81 LMNA (0.45) NEK2LMNAKDM4EKMT2AMEN1
SCHEMBL4099712 0.80 MPL (0.42) NEK2LMNAKDM4EKMT2AMEN1

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 NEK2 2025/4885LMNA 1527/4885KDM4E 3376/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 NEK2 1807/4885LMNA 1598/4885KDM4E 2316/4885

“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.