SCHEMBL4907216

SCHEMBL4907216

N#Cc1c(SCC(N)=O)nc(NC2CC2)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.45
ADORA2B P29275 3/20 0.43
HTR1B P28222 1/20 0.43
OPRK1 P41145 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
RET P07949 1/20 0.41
ADORA1 P30542 2/20 0.41
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41

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
SCHEMBL4909720 0.84 MAPT (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4908412 0.83 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4907483 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4900982 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4908408 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4909542 0.78 CTSS (0.47) ADORA2BCA12CA1CA2CA9
SCHEMBL4897863 0.78 BACE1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4909704 0.76 ADORA2B (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4907303 0.76 CTSS (0.47) MEN1KMT2AADORA2BADORA1ADORA2A
SCHEMBL13914399 0.74 ADORA1 (0.72) ALDH1A1KDM4EMEN1KMT2AHPGD

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 ALDH1A1 1662/4885KDM4E 2429/4885SMN1; SMN2 3598/4885

“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.