SCHEMBL1359458

SCHEMBL1359458

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCOC(CO)C3)coc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.41
FEN1 P39748 4/20 0.41
JAK2 O60674 3/20 0.38
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GAA P10253 2/20 0.33
BTK Q06187 1/20 0.33
SCN9A Q15858 1/20 0.32
RIPK1 Q13546 1/20 0.32
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 2/20 0.32
JAK1 P23458 1/20 0.31

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
SCHEMBL1359329 0.89 CYP3A4 (0.36) ALOX5APFEN1JAK2CYP3A4
SCHEMBL1360760 0.87 HTR2C (0.36) GAACYP3A4
SCHEMBL1360377 0.87 CHEK1 (0.34) GAACYP3A4
SCHEMBL1358783 0.86 HSP90AA1 (0.39) ALOX5APGAABTKRIPK1
SCHEMBL1358340 0.86 GAA (0.38) GAACYP3A4
SCHEMBL1359618 0.84 CHEK1 (0.42) ALOX5APFEN1GAACYP3A4
SCHEMBL1360132 0.84 CYP3A4 (0.35) ALOX5APFEN1GAACYP3A4
SCHEMBL1359911 0.84 MAPT (0.34) GAACYP3A4
SCHEMBL1359385 0.84 MAPT (0.36) GAACYP3A4
SCHEMBL1358259 0.84 KDM1A (0.37) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US claimed
EP-2334662-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 US claimed
WO-2010034671-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO claimed

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-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, POLR2A, HCCS ALOX5AP 3018/4885FEN1 2601/4885JAK2 348/4885

“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.