SCHEMBL4908905

SCHEMBL4908905

C[C@H](COCc1ccccc1)Cc1nc(Cl)c(C#N)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
KDM1A O60341 5/20 0.39
ACMSD Q8TDX5 1/20 0.37
CNR1 P21554 2/20 0.36
BRAF P15056 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4904058 1.00 KMT2A (0.41) KMT2AALDH1A1HPGDMEN1CYP1A2
SCHEMBL4904053 1.00 KMT2A (0.41) KMT2AALDH1A1HPGDMEN1CYP1A2
SCHEMBL4905810 0.91 BRAF (0.36) KMT2AALDH1A1HPGDMEN1CYP1A2
SCHEMBL4905816 0.91 BRAF (0.36) KMT2AALDH1A1HPGDMEN1CYP1A2
SCHEMBL4907768 0.91 BRAF (0.36) KMT2AALDH1A1HPGDMEN1CYP1A2
SCHEMBL4907514 0.80 KDM1A (0.50) KMT2AALDH1A1HPGDMEN1CYP1A2
SCHEMBL4906785 0.72 BRAF (0.73) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907093 0.72 BRAF (0.73) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906780 0.72 BRAF (0.73) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4905882 0.70 KMT2A (0.49) KMT2AALDH1A1HPGDMEN1CYP1A2

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 KMT2A 3422/4885ALDH1A1 1662/4885HPGD 1654/4885

“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.