SCHEMBL4911643

SCHEMBL4911643

ON=Cc1c(Cl)nc(NC2CC2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
CYP2C9 P11712 1/20 0.32
NPR3 P17342 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 2/20 0.31
CDC7 O00311 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
MAPK13 O15264 1/20 0.31
PDPK1 O15530 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
NTRK1 P04629 1/20 0.31
PRKCG P05129 1/20 0.31
INSR P06213 1/20 0.31

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
SCHEMBL4911638 1.00 PDE4A (0.36) PDE4ACYP2C9NPR3CYP2C19MAPK1
SCHEMBL4911220 0.77 PDE4A (0.39) PDE4ACYP2C9NPR3CYP2C19MAPK1
SCHEMBL10850056 0.71 PDE4A (0.40) PDE4ACYP2C9MAPK1PDE10AAPP
SCHEMBL6442639 0.67 LMNA (0.37) ACHERAB9A
SCHEMBL6442643 0.67 LMNA (0.37) ACHERAB9A
SCHEMBL11474745 0.67 PDE4A (0.48) PDE4ACYP2C9NPR3CYP2C19MAPK1
SCHEMBL16058116 0.67 MAPK1 (0.49) PDE4AMAPK1CDC7DAPK3JAK2
SCHEMBL5127390 0.66 PDE4A (0.60) PDE4ACYP2C9NPR3CYP2C19MAPK1
SCHEMBL10168943 0.66 PDE4A (0.66) PDE4ACYP2C9NPR3CYP2C19MAPK1
SCHEMBL4907067 0.66 PDE4A (0.44) PDE4AMAPK1ACHE

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 PDE4A 1/4885CYP2C9 1938/4885NPR3 387/4885

“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.