SCHEMBL1702842

SCHEMBL1702842

CC(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3C#N)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.40
SGK1 O00141 3/20 0.33
JAK2 O60674 2/20 0.32
BRD4 O60885 2/20 0.32
JAK1 P23458 1/20 0.32
BRD2 P25440 1/20 0.32
JAK3 P52333 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
PGR P06401 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CTSS P25774 1/20 0.30
DCLK1 O15075 1/20 0.30
MAPK7 Q13164 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL1702697 0.78 CYP3A4 (0.38) SGK1JAK2BRD4JAK1PGR
SCHEMBL1702277 0.75 CRBN (0.41) CRBNBRD4
SCHEMBL1702498 0.75 CRBN (0.47) CRBN
SCHEMBL17378874 0.68 CRBN (0.59) CRBNBRD4
SCHEMBL1702652 0.66 HPGD (0.47) SGK1JAK2NPC1RAB9A
SCHEMBL1692212 0.66 CRBN (0.44) CRBN
SCHEMBL1702649 0.66 MET (0.35) SGK1JAK2BRD4NPC1RAB9A
SCHEMBL3771679 0.66 KIT (0.40) PGR
SCHEMBL3765201 0.65 ALOX5AP (0.45) JAK2NPC1RAB9A
SCHEMBL1703319 0.65 MET (0.40) JAK2BRD4NPC1RAB9A

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
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP claimed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US 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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 CRBN 2036/4885SGK1 4784/4885JAK2 296/4885

“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.