SCHEMBL4904144

SCHEMBL4904144

N#Cc1c(Cl)nc(NC2CC2)nc1-c1cncc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ ADORA1 P30542 7/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ IDH1 O75874 1/20 0.37
▸ ADORA2A P29274 3/20 0.36
▸ CTSV O60911 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSH P09668 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CASP14 P31944 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CTSZ Q9UBR2 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ BRAF P15056 2/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35

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
SCHEMBL4908545 0.86 BRAF (0.49) CYP11B1CYP11B2ADORA1KMT2AADORA2A
SCHEMBL4909018 0.83 ADORA1 (0.56) ADORA1ADORA2ACTSVPLATCTSL
SCHEMBL4899212 0.82 KDM1A (0.47) ADORA1KMT2AADORA2ACTSVPLAT
SCHEMBL4908292 0.82 KMT2A (0.56) ADORA1KMT2AADORA2AACHEBRAF
SCHEMBL4898439 0.80 KDM1A (0.52) ADORA1KMT2AIDH1ADORA2ACTSV
SCHEMBL4907157 0.79 ADORA1 (0.46) ADORA1KMT2AADORA2ACTSLCTSS
SCHEMBL4906201 0.78 KMT2A (0.55) ADORA1KMT2AADORA2AACHEMEN1
SCHEMBL4906255 0.77 ADORA1 (0.47) ADORA1KMT2AADORA2ACTSVPLAT
SCHEMBL4899380 0.77 ADORA1 (0.53) ADORA1ADORA2ACTSVPLATCTSL
SCHEMBL4907249 0.77 KMT2A (0.41) ADORA1KMT2AADORA2ACTSVPLAT

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 CYP11B1 609/4885CYP11B2 1096/4885ADORA1 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.

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