SCHEMBL4594307

SCHEMBL4594307

CN(C)CCNc1ccn2ncc(-c3ccc(OC(F)(F)F)cc3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 15/20 0.70
PIM2 Q9P1W9 8/20 0.65
RET P07949 4/20 0.64
KDR P35968 1/20 0.53
KCNH2 Q12809 1/20 0.51
PIM3 Q86V86 1/20 0.50
SCN5A Q14524 1/20 0.47

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
SCHEMBL4594911 0.87 PIM1 (0.76) PIM1PIM2RETKDRPIM3
SCHEMBL4333814 0.87 RET (0.59) PIM1PIM2RETKCNH2SCN5A
SCHEMBL4332411 0.83 PIM1 (1.00) PIM1PIM2RETKDR
Ammonia Solution, Strong SCHEMBL4594310 0.81 SCN5A (0.53) PIM1PIM2KCNH2SCN5A
SCHEMBL4339484 0.80 RET (0.70) PIM1PIM2RETKCNH2
SCHEMBL4332430 0.80 SCN5A (0.50) PIM1PIM2RETKCNH2SCN5A
SCHEMBL4327397 0.79 RET (0.83) PIM1PIM2RETKDR
SCHEMBL4333345 0.78 PIM1 (0.71) PIM1PIM2RETKDR
SCHEMBL4339010 0.77 PIM1 (0.69) PIM1PIM2RETKCNH2
SCHEMBL102242 0.77 PIM1 (0.51) PIM1PIM2KCNH2SCN5A

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
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
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
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 PIM1 400/4885PIM2 424/4885RET 911/4885

“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.