SCHEMBL1458765

SCHEMBL1458765

CC1(C)OB(c2ccc(-c3ccnc(N)n3)cc2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.50
AURKA O14965 2/20 0.50
PRKACA P17612 1/20 0.50
ADORA2A P29274 1/20 0.50
LPL P06858 8/20 0.49
LIPG Q9Y5X9 8/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HSP90AB1 P08238 1/20 0.45
PTK2 Q05397 1/20 0.45
KMO O15229 1/20 0.44
DGAT1 O75907 1/20 0.41
PIM1 P11309 1/20 0.40
CHUK O15111 1/20 0.40
PDPK1 O15530 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL21125032 0.85 LPL (0.51) LPLLIPGKDM4EALDH1A1MAPT
SCHEMBL23018698 0.79 LPL (0.45) LPLLIPGKDM4EALDH1A1MAPT
SCHEMBL23018805 0.76 LIPG (0.59) LPLLIPGDGAT1CA1CA2
SCHEMBL28549946 0.75 LIPG (0.69) LPLLIPGKDM4EALDH1A1MAPT
SCHEMBL5899680 0.75 LPL (0.51) LPLLIPGKDM4EALDH1A1MAPT
SCHEMBL18573202 0.75 DGAT1 (0.53) LPLLIPGDGAT1KDRCA1
SCHEMBL17548469 0.75 LIPG (0.51) LPLLIPGDGAT1CA1CA2
SCHEMBL466348 0.74 NUDT1 (0.37) HSP90AA1AURKAPRKACAADORA2ALPL
SCHEMBL1827472 0.74 LIPG (0.62) LPLLIPGKDM4EDGAT1CA1
SCHEMBL29413172 0.74 LIPG (0.62) LPLLIPGKDM4EDGAT1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480556-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036128-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110070190-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-03-24 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 (1 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-20110070190-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, RTF2, HCCS HSP90AA1 1830/4885AURKA 3473/4885PRKACA 3118/4885

“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.