SCHEMBL4097357

SCHEMBL4097357

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
NEK2 P51955 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
MAPT P10636 5/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4110344 0.89 NEK2 (0.45) KDM4ENEK2MAPTRAB9ATSHR
SCHEMBL5610909 0.89 KDM4E (0.41) KDM4ENEK2MAPTRAB9ATSHR
SCHEMBL4097396 0.89 ELANE (0.42) KDM4ENEK2S1PR1S1PR3HSD17B10
SCHEMBL4103864 0.88 KDM4E (0.40) KDM4ENEK2MAPTRAB9ATSHR
SCHEMBL4098866 0.87 KDM4E (0.40) KDM4ENEK2MAPTRAB9ATSHR
SCHEMBL4098179 0.87 NEK2 (0.39) KDM4ENEK2MAPTRAB9ATSHR
SCHEMBL4099757 0.86 MAPT (0.46) KDM4ENEK2MAPTLMNAMAPK1
SCHEMBL4104992 0.86 NEK2 (0.39) KDM4ENEK2MAPTRAB9ATSHR
SCHEMBL4114821 0.82 LMNA (0.41) KDM4ENEK2MAPTRAB9ATSHR
SCHEMBL4099712 0.81 MPL (0.42) KDM4ENEK2MAPTRAB9ATSHR

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 3376/4885NEK2 2025/4885S1PR1 1487/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 KDM4E 2316/4885NEK2 1807/4885S1PR1 1116/4885

“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.