SCHEMBL4594658

SCHEMBL4594658

CC(=O)Nc1ccc(Nc2ccn3ncc(-c4cccc(N(C)C)c4)c3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.67
RET P07949 4/20 0.56
FYN P06241 5/20 0.55
PIK3CG P48736 2/20 0.51
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CLK1 P49759 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TGFBR2 P37173 1/20 0.45
TNIK Q9UKE5 1/20 0.43
PIM2 Q9P1W9 2/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL4595478 0.88 PIM1 (0.68) PIM1RETFYNPIK3CGTGFBR2
SCHEMBL4331389 0.85 FYN (0.63) PIM1RETFYNPIK3CGKDM4E
SCHEMBL4327456 0.85 RET (0.68) PIM1RETFYNPIK3CGKDM4E
SCHEMBL4594124 0.84 PIM1 (0.66) PIM1RETFYNPIK3CGTGFBR2
SCHEMBL4332853 0.84 RET (0.65) PIM1RETFYNPIK3CGKDM4E
SCHEMBL4341333 0.83 PIM1 (0.64) PIM1RETFYNPIK3CGTGFBR2
SCHEMBL4328530 0.81 PIM1 (0.62) PIM1FYNPIK3CGTGFBR2PIM2
SCHEMBL178324 0.80 PIM1 (1.00) PIM1RETFYNPIK3CGMEN1
SCHEMBL4595945 0.80 FYN (0.78) PIM1RETFYNPIK3CGTGFBR2
SCHEMBL4340651 0.80 RET (0.64) PIM1RETFYNPIK3CGPIM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 400/4885RET 911/4885FYN 151/4885

“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.