SCHEMBL826129

SCHEMBL826129

O=C(c1ncn[nH]1)c1nc2ccc(Cc3cccc(Cl)c3F)cn2c(=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
CDK2 P24941 6/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 3/20 0.31
KMT2A Q03164 1/20 0.31
AKR1B1 P15121 1/20 0.31
CDK4 P11802 3/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL826530 0.87 CDK2 (0.32) CDK2AKR1B1CDK4
SCHEMBL823509 0.84 MDM2 (0.39) CDK2CDK4
SCHEMBL826172 0.78 GRM4 (0.31)
SCHEMBL823574 0.78 SMN1; SMN2 (0.42) L3MBTL1KMT2ACYP3A4CYP2C19
SCHEMBL823615 0.76 CNR1 (0.39) LMNAKMT2A
SCHEMBL12952857 0.73 KDM4E (0.40) RAB9AKDM4EHSD17B10
SCHEMBL826156 0.73 MPO (0.34)
SCHEMBL826416 0.72 KCNE1 (0.41) LMNAKMT2AHSD17B10
SCHEMBL823577 0.69 KDM4E (0.36) RAB9AKDM4EHSD17B10
SCHEMBL3618422 0.65 METTL3 (0.39)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
EP-2114903-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US 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 (3 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD RAB9A 2559/4885LMNA 2777/4885CDK2 693/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD RAB9A 2559/4885LMNA 2777/4885CDK2 693/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD RAB9A 2559/4885LMNA 2777/4885CDK2 693/4885

“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.