SCHEMBL2956041

SCHEMBL2956041

Cc1cn(S(=O)(=O)c2ccc(Br)cc2)c2ncc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HTR6 P50406 6/20 0.42
CYP3A4 P08684 2/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
BRD4 O60885 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KLK7 P49862 1/20 0.38

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
SCHEMBL15882765 0.93 ENPP3 (0.44) GAAHTR6CYP3A4DRD2SLC6A2
SCHEMBL2965430 0.91 BRD4 (0.47) GAAHTR6CYP3A4DRD2SLC6A2
SCHEMBL25255375 0.82 RAPGEF4 (0.40) HTR6CYP3A4DRD2SLC6A2HTR2A
SCHEMBL18053332 0.81 HTR6 (0.44) HTR6CYP3A4DRD2SLC6A2HTR2A
SCHEMBL721833 0.81 BRD4 (0.51) GAAHTR6PTGDR2BRD4ENPP3
SCHEMBL15155315 0.81 ENPP3 (0.42) GAAHTR6PTGDR2BRD4ENPP3
SCHEMBL16186613 0.81 ENPP3 (0.42) GAAPTGDR2BRD4PDE4APDE4B
SCHEMBL31396616 0.80 PTPN11 (0.53) GAAHTR6PTGDR2BRD4ENPP3
SCHEMBL20502438 0.80 PDE4A (0.44) HTR6PTGDR2BRD4PDE4APDE4B
SCHEMBL1565988 0.80 KDM4E (0.53) GAAPTGDR2BRD4ENPP3ENPP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS GAA 2870/4885HTR6 4165/4885CYP3A4 64/4885

“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.