SCHEMBL4333572

SCHEMBL4333572

COc1cc(-c2cnn3ccc(Nc4ccc(C)c(NS(C)(=O)=O)c4)nc23)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.73
PIK3CG P48736 2/20 0.65
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
RET P07949 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIM1 P11309 2/20 0.44
BACE1 P56817 2/20 0.41
TGFBR2 P37173 1/20 0.40
BRAF P15056 3/20 0.40
RAF1 P04049 2/20 0.40

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
SCHEMBL14355760 0.91 FYN (0.79) FYNPIK3CGCCNT1CDK9RET
SCHEMBL4337276 0.89 FYN (0.69) FYNPIK3CGCCNT1CDK9RET
SCHEMBL4595548 0.87 FYN (0.71) FYNPIK3CGCCNT1CDK9RET
SCHEMBL4330999 0.87 FYN (0.82) FYNPIK3CGCCNT1CDK9RET
SCHEMBL4339754 0.86 FYN (0.70) FYNPIK3CGCCNT1CDK9RET
SCHEMBL4339057 0.85 FYN (0.69) FYNPIK3CGCCNT1CDK9RET
SCHEMBL4333715 0.85 FYN (0.78) FYNPIK3CGCCNT1CDK9RET
SCHEMBL4347134 0.84 FYN (1.00) FYNPIK3CGCCNT1CDK9RET
SCHEMBL102960 0.84 FYN (0.67) FYNPIK3CGCCNT1CDK9RET
SCHEMBL4330992 0.83 FYN (0.63) FYNPIK3CGCCNT1CDK9RET

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
EP-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US claimed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP claimed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP 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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK FYN 151/4885PIK3CG 756/4885CCNT1 2320/4885

“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.