SCHEMBL2959525

SCHEMBL2959525

Cc1[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PDGFRB P09619 3/20 0.35
KDR P35968 3/20 0.35
EGFR P00533 2/20 0.33
DGAT1 O75907 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
ALPL P05186 1/20 0.32
LPL P06858 4/20 0.32
LIPG Q9Y5X9 4/20 0.32
FFAR1 O14842 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 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
SCHEMBL23101617 0.82 MAP4K1 (0.42) GSK3AGSK3BPDGFRBKDREGFR
SCHEMBL29380963 0.77 GSK3A (0.43) GSK3AGSK3BPDGFRBKDREGFR
SCHEMBL29382931 0.77 GSK3A (0.48) GSK3AGSK3BPDGFRBKDREGFR
SCHEMBL2966812 0.77 GSK3A (0.43) GSK3AGSK3BPDGFRBKDREGFR
SCHEMBL2953175 0.77 GSK3A (0.48) GSK3AGSK3BPDGFRBKDREGFR
SCHEMBL18789094 0.76 GSK3A (0.43) GSK3AGSK3BPDGFRBKDREGFR
SCHEMBL2969113 0.75 BRD4 (0.43) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL20502457 0.74 GSK3A (0.44) GSK3AGSK3BPDGFRBKDREGFR
SCHEMBL18125390 0.73 GSK3A (0.38) GSK3AGSK3BPDGFRBKDREGFR
SCHEMBL29382832 0.73 GSK3A (0.57) GSK3AGSK3BPDGFRBKDREGFR

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 GSK3A 298/4885GSK3B 168/4885PDGFRB 1145/4885

“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.