SCHEMBL4926403

SCHEMBL4926403

CNc1nc(-c2ccccc2)c2c(N)c(C(=O)N3CCOCC3)sc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
ALDH1A1 P00352 12/20 0.51
KDM4E B2RXH2 8/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 9/20 0.48
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
HPGD P15428 5/20 0.48
TP53 P04637 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
USP2 O75604 4/20 0.48
ALOX15 P16050 4/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
NR1I2 O75469 1/20 0.48
BRAF P15056 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48

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
SCHEMBL4925052 0.88 CNR1 (0.55) CNR1ALDH1A1KDM4ERXFP1MAPT
SCHEMBL14281362 0.86 BRAF (0.69) ALDH1A1KDM4ERXFP1MAPTRAB9A
SCHEMBL27490181 0.81 MAPT (0.61) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL14281542 0.81 MEN1 (0.58) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4924409 0.81 BRAF (0.70) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4931747 0.80 BRAF (0.56) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL14281350 0.78 BRAF (0.51) ALDH1A1KDM4ERXFP1MAPTRAB9A
SCHEMBL4904174 0.78 BRAF (0.50) ALDH1A1KDM4ERXFP1MAPTHPGD
SCHEMBL429408 0.77 ALDH1A1 (0.65) CNR1ALDH1A1KDM4ERXFP1MAPT
SCHEMBL14281363 0.76 BRAF (0.73) BRAFPDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 CNR1 1383/4885ALDH1A1 1662/4885KDM4E 2429/4885

“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.