SCHEMBL823596

SCHEMBL823596

CCOC(=O)Nc1cc(I)cnc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
DPP4 P27487 1/20 0.45
ALDH1A1 P00352 5/20 0.45
RECQL P46063 1/20 0.42
KCNQ3 O43525 3/20 0.42
KCNQ2 O43526 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ABCB11 O95342 1/20 0.42
ESR1 P03372 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
TBXA2R P21731 1/20 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
SCHEMBL1585857 0.83 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2DPP4
SCHEMBL359819 0.74 MAPT (0.46) SMN1; SMN2ALDH1A1MAPK1KDM4EMEN1
SCHEMBL10267634 0.72 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2DPP4
SCHEMBL10006858 0.72 DPP4 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2DPP4
SCHEMBL15426476 0.71 HPGD (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL2070682 0.71 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL19255633 0.71 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL27886439 0.69 HSD17B10 (0.45) CYP1A2CYP2C9CYP2C19DPP4ALDH1A1
SCHEMBL9178424 0.69 ALDH1A1 (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL14143320 0.69 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
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
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US 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
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 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 (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 CYP1A2 153/4885CYP2C9 70/4885CYP2C19 15/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CYP1A2 153/4885CYP2C9 70/4885CYP2C19 15/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CYP1A2 153/4885CYP2C9 70/4885CYP2C19 15/4885

“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.