SCHEMBL4907656

SCHEMBL4907656

COc1cccc(-c2nc(SC)nc(O)c2C#N)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 1/20 0.45
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SQOR Q9Y6N5 1/20 0.39
HTT P42858 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
BLM P54132 1/20 0.37
ALPL P05186 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
ERN1 O75460 1/20 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
SCHEMBL4909225 0.86 KMT2A (0.51) LHCGRADORA2AADORA1SQORHTT
SCHEMBL4908410 0.80 LHCGR (0.45) LHCGRADORA2AADORA1HTTKMT2A
SCHEMBL4911158 0.77 PIM1 (0.41) ADORA2AADORA1SQORKMT2AMEN1
SCHEMBL4421002 0.74 RXFP1 (0.61) LHCGRADORA2AADORA1SQORHTT
SCHEMBL4907554 0.71 CCR1 (0.44) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL1176355 0.70 ALDH1A1 (0.54) ADORA2AADORA1HTTKMT2AMEN1
SCHEMBL4905668 0.70 KDM1A (0.44) ADORA2AADORA1KMT2AALDH1A1LMNA
SCHEMBL19713015 0.69 ALDH1A1 (0.46) ADORA2AADORA1SQORHTTKMT2A
SCHEMBL30076288 0.69 ALDH1A1 (0.46) ADORA2AADORA1SQORHTTKMT2A
SCHEMBL4909122 0.68 RXFP1 (0.43) ADORA2AADORA1KMT2AALDH1A1MAPT

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 LHCGR 2693/4885ADORA2A 837/4885ADORA1 529/4885

“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.