SCHEMBL4333491

SCHEMBL4333491

CN(c1cccnc1)c1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.51
PIM2 Q9P1W9 9/20 0.51
KCNH2 Q12809 1/20 0.51
FLT3 P36888 1/20 0.50
TGFBR2 P37173 1/20 0.44
NPY5R Q15761 1/20 0.42
NTRK1 P04629 1/20 0.42
SCN5A Q14524 1/20 0.39
FYN P06241 1/20 0.39
GRM2 Q14416 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL4594565 0.91 PIM1 (0.53) PIM1PIM2KCNH2FLT3TGFBR2
SCHEMBL4339013 0.90 SCN5A (0.48) PIM1PIM2KCNH2FLT3NPY5R
SCHEMBL4595601 0.86 PIM1 (0.49) PIM1PIM2FLT3NPY5RNTRK1
SCHEMBL4331125 0.79 PIM1 (0.42) PIM1NTRK1FYN
SCHEMBL4339486 0.79 SCN5A (0.51) PIM1PIM2KCNH2NTRK1SCN5A
SCHEMBL4335371 0.77 FYN (0.59) PIM1TGFBR2FYN
SCHEMBL4333647 0.76 KDR (0.44) PIM1NTRK1FYN
SCHEMBL4594847 0.76 PIM1 (0.51) PIM1PIM2FLT3TGFBR2NTRK1
SCHEMBL18613301 0.76 FYN (0.62) PIM1PIM2NTRK1FYN
SCHEMBL102845 0.76 PIM1 (0.60) PIM1PIM2KCNH2FLT3TGFBR2

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 PIM1 400/4885PIM2 424/4885KCNH2 906/4885

“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.