SCHEMBL4908370

SCHEMBL4908370

CCOc1cncc(-c2nc(SC)nc(Cl)c2C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
KDM1A O60341 9/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL4900833 0.87 KMT2A (0.56) KMT2ACYP1A2CYP2C9CYP2C19CYP11B1
SCHEMBL4899448 0.85 KMT2A (0.50) KMT2ACYP1A2CYP2C9CYP2C19KDM1A
SCHEMBL4907018 0.82 KMT2A (0.56) KMT2ACYP1A2CYP2C9CYP2C19KDM1A
SCHEMBL4900836 0.76 RXFP1 (0.56) KMT2ACYP11B1CYP11B2MEN1ALDH1A1
SCHEMBL4907415 0.74 KMT2A (0.57) KMT2ACYP1A2CYP2C9CYP2C19KDM1A
SCHEMBL4420483 0.73 RXFP1 (0.61) KMT2ACYP1A2CYP2C9CYP2C19KDM1A
SCHEMBL18893660 0.73 RXFP1 (0.46) KMT2ACYP1A2CYP2C9CYP2C19CYP11B1
SCHEMBL4903707 0.71 ALDH1A1 (0.49) KMT2ACYP1A2CYP2C9CYP2C19CYP11B1
SCHEMBL6218562 0.71 KMT2A (0.76) KMT2ACYP1A2CYP2C9CYP2C19KDM1A
SCHEMBL4906040 0.70 CYP1A2 (0.71) KMT2ACYP1A2CYP2C9CYP2C19KDM1A

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 3422/4885CYP1A2 1768/4885CYP2C9 1938/4885

“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.