SCHEMBL4098490

SCHEMBL4098490

Cc1[nH]c(=O)c(C#N)cc1C(=O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 5/20 0.46
GAA P10253 3/20 0.46
GALR3 O60755 1/20 0.46
PDE3A Q14432 4/20 0.43
PDE3B Q13370 3/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
PDE4A P27815 2/20 0.43
PDE5A O76074 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RXFP1 Q9HBX9 2/20 0.42

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
SCHEMBL4739455 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL4514368 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL9478348 0.80 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL10749715 0.78 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL10748109 0.78 MAPT (0.54) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11004626 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL9475931 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL10746820 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11022101 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11023795 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDGAAGALR3

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 KDM4E 3376/4885ALDH1A1 1820/4885HPGD 556/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 KDM4E 2316/4885ALDH1A1 1638/4885HPGD 425/4885

“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.