SCHEMBL4099712

SCHEMBL4099712

CCCCc1cnc(-c2cnc(N3CCC(C(=O)OC)CC3)c(Cl)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.42
P2RY12 Q9H244 2/20 0.40
NEK2 P51955 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MALT1 Q9UDY8 3/20 0.37
ACACB O00763 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CXCR3 P49682 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4105016 0.90 MPL (0.49) MPLP2RY12NEK2LMNASMN1; SMN2
SCHEMBL4097357 0.81 KDM4E (0.42) NEK2KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL4110344 0.80 NEK2 (0.45) NEK2KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL5610909 0.80 KDM4E (0.41) NEK2KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL4102991 0.80 P2RY12 (0.63) MPLP2RY12CYP3A4
SCHEMBL4011186 0.79 P2RY12 (0.44) MPLP2RY12NEK2LMNASMN1; SMN2
SCHEMBL4103864 0.79 KDM4E (0.40) NEK2KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL4098866 0.79 KDM4E (0.40) NEK2KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL4098179 0.78 NEK2 (0.39) NEK2KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL4099757 0.77 MAPT (0.46) NEK2KDM4ELMNAMAPTALDH1A1

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 MPL 47/4885P2RY12 1/4885NEK2 2025/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 MPL 22/4885P2RY12 1/4885NEK2 1807/4885

“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.