SCHEMBL2481359

SCHEMBL2481359

CC(C)(C)c1cc(Br)c2ncc(N3CC[C@H](CNS(C)(=O)=O)C3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.40
SMO Q99835 1/20 0.38
CKS1B P61024 5/20 0.35
SKP1 P63208 5/20 0.35
SKP2 Q13309 5/20 0.35
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 0.34
LDHA P00338 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAK O14976 1/20 0.32
BRAF P15056 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
SCHEMBL1702600 0.81 SMO (0.48) SMOKCNH2
SCHEMBL2449503 0.81 IRAK1 (0.36) IRAK1SMOCKS1BSKP1SKP2
SCHEMBL2450423 0.81 IRAK1 (0.36) IRAK1SMOCKS1BSKP1SKP2
SCHEMBL1702202 0.75
SCHEMBL18940291 0.71 SMO (0.42) IRAK1SMOAURKAAURKB
SCHEMBL2449045 0.69 AURKA (0.40) IRAK1SMOAURKAAURKBLDHA
SCHEMBL3759266 0.68 IRAK1 (0.37) IRAK1SMOAURKAAURKBLDHA
SCHEMBL2452342 0.66 AURKA (0.43) IRAK1SMOAURKAAURKBLDHA
SCHEMBL21193122 0.66 AURKA (0.42) IRAK1SMOAURKAAURKBALDH1A1
SCHEMBL16143827 0.65 IRAK1 (0.40) IRAK1SMOAURKAAURKBLDHA

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-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
US-8487103-B2 Quinoline inhibitors of hepatitis C virus polymerase ROCHE PALO ALTO LLC (US) 2013-07-16 US disclosed
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-12-08 US disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 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 (2 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 IRAK1 2850/4885SMO 3411/4885CKS1B 172/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 IRAK1 2103/4885SMO 4220/4885CKS1B 412/4885

“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.