SCHEMBL4911642

SCHEMBL4911642

NC(=O)c1cc2c(-c3ccccc3Cl)nc(N)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 14/20 0.57
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
VCAM1 P19320 1/20 0.43
BRAF P15056 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
CSF1R P07333 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 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
SCHEMBL14281572 0.89 HSP90AB1 (0.56) HSP90AB1HSP90AA1CYP2C19
SCHEMBL4911195 0.84 HSP90AB1 (0.56) HSP90AB1PLK4CHEK1AURKADAPK3
SCHEMBL14281373 0.83 BRAF (0.46) HSP90AB1ICAM1SELEVCAM1BRAF
SCHEMBL13109520 0.83 HSP90AB1 (0.56) HSP90AB1HSP90AA1CYP2C19
SCHEMBL14466647 0.82 HSP90AB1 (0.53) HSP90AB1ICAM1SELEPLK4CHEK1
SCHEMBL3321292 0.82 HSP90AB1 (0.68) HSP90AB1ICAM1SELEBRAFPDE4A
SCHEMBL4904073 0.80 BRAF (0.62) HSP90AB1ICAM1SELEBRAFPDE4A
SCHEMBL4186399 0.78 HSP90AB1 (0.59) HSP90AB1HSP90AA1CYP2C19
SCHEMBL4908426 0.78 HSP90AB1 (0.61) HSP90AB1ICAM1SELEVCAM1BRAF
SCHEMBL4195755 0.77 HSP90AB1 (0.65) HSP90AB1CDK2CSNK1DCSNK2A1HSP90AA1

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 6 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
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
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 HSP90AB1 1347/4885ICAM1 3630/4885SELE 3764/4885

“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.