SCHEMBL4594564

SCHEMBL4594564

FC(F)(F)Oc1cccc(-c2cnn3ccc(NCc4ccncc4)nc23)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.68
PIM1 P11309 11/20 0.64
PIM2 Q9P1W9 8/20 0.64
KCNH2 Q12809 1/20 0.63
FLT3 P36888 1/20 0.60
FYN P06241 1/20 0.57

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
SCHEMBL4333488 0.91 FYN (0.70) RETPIM1PIM2KCNH2FLT3
SCHEMBL4339484 0.88 RET (0.70) RETPIM1PIM2KCNH2FYN
SCHEMBL4345213 0.87 RET (0.72) RETPIM1PIM2FYN
SCHEMBL4594844 0.85 RET (0.72) RETPIM1PIM2FLT3FYN
SCHEMBL4337283 0.83 PIM1 (0.67) RETPIM1PIM2KCNH2FLT3
SCHEMBL14308667 0.83 RET (0.68) RETPIM1PIM2FYN
SCHEMBL4342746 0.82 RET (0.76) RETPIM1PIM2FYN
SCHEMBL4339010 0.80 PIM1 (0.69) RETPIM1PIM2KCNH2FYN
SCHEMBL4330227 0.79 PIM1 (0.65) PIM1PIM2KCNH2FLT3FYN
SCHEMBL22421504 0.78 PIM1 (0.81) PIM1PIM2KCNH2FLT3

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

“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.