SCHEMBL4909720

SCHEMBL4909720

COc1cc(-c2nc(NC3CC3)nc(SCC(N)=O)c2C#N)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 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
SCHEMBL4907216 0.84 ALDH1A1 (0.46) MAPTTSHRTDP1L3MBTL1KDM4E
SCHEMBL4900864 0.83 MAPT (0.45) MAPTATMKDM4EALDH1A1CYP2C19
SCHEMBL4908412 0.82 ALDH1A1 (0.50) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL4906222 0.80 ALDH1A1 (0.45) MAPTATMKDM4EALDH1A1CYP2C19
SCHEMBL4908408 0.78 ALDH1A1 (0.42) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL4897863 0.75 BACE1 (0.47) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL4907483 0.75 ALDH1A1 (0.46) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL4900982 0.74 ALDH1A1 (0.48) TSHRL3MBTL1KDM4EALDH1A1GLA
SCHEMBL4907060 0.71 ALDH1A1 (0.43) MAPTTSHRKDM4EALDH1A1GAA
SCHEMBL4906922 0.71 BRAF (0.70)

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-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF MAPT 3324/4885ATM 1908/4885TSHR 1074/4885

“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.