SCHEMBL3930294

SCHEMBL3930294

CC(C)Cn1c(=O)c(C2=CS(=O)(=O)c3ccc(C#N)cc3N2)c(O)c2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 3/20 0.37
NR1I2 O75469 1/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.35
PER2 O15055 4/20 0.35
CRY1 Q16526 4/20 0.34
CRY2 Q49AN0 4/20 0.34
DPP4 P27487 2/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3924226 0.86 MAPK1 (0.40) MAPK1HSD17B10CYP2C9NR1I2PTGDR2
SCHEMBL3920394 0.81 MAPK1 (0.42) MAPK1HSD17B10DPP4MEN1LMNA
SCHEMBL3920019 0.73 CYP2C9 (0.50) MAPK1HSD17B10CYP2C9NR1I2PTGDR2
SCHEMBL3921164 0.71 CYP2C9 (0.46) MAPK1HSD17B10CYP2C9NR1I2PTGDR2
SCHEMBL3917989 0.70 CYP2C9 (0.42) CYP2C9NR1I2PTGDR2PIK3R1PIK3CA
SCHEMBL4069350 0.70 CYP2C9 (0.38) CYP2C9NR1I2PTGDR2
SCHEMBL13938264 0.69 CYP2C9 (0.40) CYP2C9NR1I2PTGDR2MEN1LMNA
SCHEMBL3918621 0.69 MAPK1 (0.44) MAPK1HSD17B10CYP2C9NR1I2PTGDR2
SCHEMBL3929284 0.69 CYP2C9 (0.41) HSD17B10CYP2C9NR1I2PTGDR2PIK3R1
SCHEMBL3922914 0.69 CYP2C9 (0.39) CYP2C9NR1I2PTGDR2PER2CRY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP disclosed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO disclosed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 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-20060040927-A1 Heterocyclic antiviral compounds HAVCR2, POLR1A, HCCS MAPK1 2052/4885HSD17B10 1635/4885CYP2C9 366/4885

“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.