SCHEMBL4328537

SCHEMBL4328537

CN(C)CCNC(=O)c1cccc(-c2cnn3ccc(Nc4ccc(O)cc4)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.54
CAMK2D Q13557 3/20 0.54
PIK3CG P48736 2/20 0.52
RET P07949 4/20 0.51
PIM1 P11309 4/20 0.50
PIM2 Q9P1W9 1/20 0.44
PRKD3 O94806 1/20 0.43
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL4335480 0.91 PIK3CG (0.54) FYNCAMK2DPIK3CGRETPIM1
SCHEMBL4335318 0.90 FYN (0.53) FYNCAMK2DPIK3CGRETPIM1
SCHEMBL4325684 0.88 KDR (0.57) FYNCAMK2DPIK3CGRETPIM1
SCHEMBL4337260 0.87 FYN (0.74) FYNCAMK2DPIK3CGRETPIM1
SCHEMBL4335832 0.86 PIK3CG (0.72) FYNCAMK2DPIK3CGRETPIM1
SCHEMBL4333360 0.84 FYN (0.73) FYNPIK3CGRETPIM1PIM2
SCHEMBL14302391 0.81 PIK3CG (0.56) FYNCAMK2DPIK3CGRETPIM1
SCHEMBL4335455 0.81 FYN (0.57) FYNCAMK2DPIK3CGRETPIM1
SCHEMBL4336167 0.81 RET (0.56) FYNCAMK2DPIK3CGRETPIM1
SCHEMBL4595824 0.80 FYN (0.62) FYNCAMK2DRETPIM1PIM2

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-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
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
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 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 151/4885CAMK2D 3441/4885PIK3CG 756/4885

“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.