SCHEMBL4911779

SCHEMBL4911779

N#Cc1c(Cl)nc(NC2CC2)nc1-c1ccnc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 2/20 0.37
ADORA1 P30542 7/20 0.36
ADORA2A P29274 4/20 0.36
CTSV O60911 1/20 0.35
PLAT P00750 1/20 0.35
CTSL P07711 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
CASP14 P31944 1/20 0.35
CASP6 P55212 1/20 0.35
CTSZ Q9UBR2 1/20 0.35
MAPK14 Q16539 1/20 0.35
IKBKB O14920 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
SCHEMBL4909018 0.82 ADORA1 (0.56) CTSKACHEADORA1ADORA2ACTSV
SCHEMBL4899212 0.81 KDM1A (0.47) CTSKKMT2AMEN1ACHEADORA1
SCHEMBL4899380 0.81 ADORA1 (0.53) CTSKACHEADORA1ADORA2ACTSV
SCHEMBL4906255 0.81 ADORA1 (0.47) CTSKKMT2AMEN1ACHEADORA1
SCHEMBL4907249 0.81 KMT2A (0.41) CTSKKMT2AMEN1ACHEADORA1
SCHEMBL4898439 0.81 KDM1A (0.52) CTSKKMT2AACHEADORA1ADORA2A
SCHEMBL4906201 0.79 KMT2A (0.55) KMT2AMEN1ACHEADORA1ADORA2A
SCHEMBL4908292 0.79 KMT2A (0.56) KMT2AMEN1ACHEADORA1ADORA2A
SCHEMBL4912631 0.77 ADORA2A (0.57) CTSKKMT2AMEN1ADORA1ADORA2A
SCHEMBL4904144 0.77 CYP11B1 (0.39) CTSKKMT2AMEN1ACHEADORA1

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 CTSK 2917/4885KMT2A 3422/4885MEN1 2444/4885

“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.