Sugi Predict

Sugi Predict / Compounds / SCHEMBL823447

SCHEMBL823447

SCHEMBL823447

COC(=O)c1nc2ccc(C)cn2c(=O)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.56
▸ ALDH1A1 P00352 9/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 6/20 0.40
▸ GLA P06280 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ HPGD P15428 6/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL823598 0.88 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL823454 0.86 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL823445 0.79 SMN1; SMN2 (0.41) SMN1; SMN2TSHRKMT2A
SCHEMBL823588 0.79 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL823304 0.79 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL13696591 0.79 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL14173486 0.78 ADORA2A (0.41) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9923995 0.77 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL823577 0.76 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL823352 0.76 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT

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-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 — — US disclosed
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-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 — — US 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 KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885

“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.