SCHEMBL4333060

SCHEMBL4333060

CN(C)CCNc1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 1.00
KDR P35968 1/20 0.89
PIM1 P11309 9/20 0.68
PIM2 Q9P1W9 5/20 0.61

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
SCHEMBL30432978 0.94 RET (1.00) RETKDRPIM1PIM2
SCHEMBL4337319 0.87 RET (1.00) RETKDRPIM1PIM2
SCHEMBL4594311 0.82 RET (0.85) RETKDRPIM1
SCHEMBL4595733 0.80 PIM1 (0.71) RETKDRPIM1PIM2
SCHEMBL4332320 0.80 RET (1.00) RETKDR
SCHEMBL4332411 0.80 PIM1 (1.00) RETKDRPIM1PIM2
SCHEMBL4333345 0.80 PIM1 (0.71) RETKDRPIM1PIM2
SCHEMBL4345220 0.79 RET (0.64) RETKDRPIM1
SCHEMBL4332525 0.78 PIM1 (0.72) RETKDRPIM1PIM2
SCHEMBL4594911 0.78 PIM1 (0.76) RETKDRPIM1PIM2

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 11 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
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
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 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 RET 911/4885KDR 12/4885PIM1 400/4885

“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.