SCHEMBL4907307

SCHEMBL4907307

Nc1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3ccccc3)sc2n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.69
MAPT P10636 7/20 0.53
THRB P10828 1/20 0.52
CNR1 P21554 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATR Q13535 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AURKA O14965 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL13109669 0.92 HSP90AB1 (0.71) HSP90AB1MAPTCNR1MEN1KMT2A
SCHEMBL13109771 0.86 HSP90AB1 (0.70) HSP90AB1MAPTTHRBCNR1MEN1
SCHEMBL4911759 0.84 HSP90AB1 (0.78) HSP90AB1MAPTALDH1A1RAB9AGAA
SCHEMBL13109783 0.82 HSP90AB1 (0.73) HSP90AB1MAPTTHRBCNR1
SCHEMBL13109976 0.81 HSP90AB1 (1.00) HSP90AB1MAPTMEN1KMT2AALDH1A1
SCHEMBL13109779 0.79 HSP90AB1 (0.69) HSP90AB1MAPTCNR1MEN1KMT2A
SCHEMBL4908958 0.78 BRAF (0.53) MAPTCNR1MEN1KMT2AATR
SCHEMBL13109740 0.78 HSP90AB1 (0.71) HSP90AB1MAPTMEN1KMT2ANPC1
SCHEMBL13109664 0.77 HSP90AB1 (0.73) HSP90AB1MAPTALDH1A1GAAKDM4E
SCHEMBL4909709 0.77 HSP90AB1 (0.67) HSP90AB1CNR1ALDH1A1KDM4E

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 5 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

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 1347/4885MAPT 3324/4885THRB 1168/4885

“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.