SCHEMBL4594847

SCHEMBL4594847

CN(c1ccncc1)c1ccn2ncc(-c3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.51
PIM2 Q9P1W9 6/20 0.51
FLT3 P36888 2/20 0.51
NTRK1 P04629 5/20 0.43
CYP17A1 P05093 1/20 0.41
EPHX2 P34913 1/20 0.39
RET P07949 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TGFBR2 P37173 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
SCHEMBL4595601 0.90 PIM1 (0.49) PIM1PIM2FLT3NTRK1CYP17A1
SCHEMBL4594565 0.85 PIM1 (0.53) PIM1PIM2FLT3TGFBR2
SCHEMBL19987117 0.80 PIM1 (0.58) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL4339486 0.78 SCN5A (0.51) PIM1PIM2NTRK1RET
SCHEMBL19987090 0.77 PIM1 (0.66) PIM1PIM2FLT3NTRK1TGFBR2
SCHEMBL4333491 0.76 PIM1 (0.51) PIM1PIM2FLT3NTRK1TGFBR2
SCHEMBL8207947 0.76 PIM1 (0.61) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL19986933 0.76 PIM1 (0.61) PIM1PIM2FLT3KDM4EALDH1A1
SCHEMBL103371 0.76 PIM1 (0.58) PIM1PIM2FLT3KDM4EALDH1A1
SCHEMBL4325728 0.75 KDR (0.51) RETKDM4EALDH1A1TGFBR2

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 4 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

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 424/4885FLT3 51/4885

“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.