SCHEMBL4339486

SCHEMBL4339486

CN(c1ccncc1)c1ccn2ncc(-c3ccc(OC(F)(F)F)cc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.51
DHFR P00374 1/20 0.41
NTRK1 P04629 3/20 0.40
PIM1 P11309 8/20 0.40
PIM2 Q9P1W9 6/20 0.40
KCNH2 Q12809 1/20 0.40
RET P07949 1/20 0.39
KDR P35968 2/20 0.39
BMP4 P12644 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 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
SCHEMBL4339013 0.89 SCN5A (0.48) SCN5ANTRK1PIM1PIM2KCNH2
SCHEMBL4594565 0.88 PIM1 (0.53) SCN5APIM1PIM2KCNH2KDR
SCHEMBL4331109 0.81 RET (0.47) SCN5APIM1PIM2KCNH2RET
SCHEMBL4333491 0.79 PIM1 (0.51) SCN5ANTRK1PIM1PIM2KCNH2
SCHEMBL4594847 0.78 PIM1 (0.51) NTRK1PIM1PIM2RET
SCHEMBL4332430 0.78 SCN5A (0.50) SCN5ANTRK1PIM1PIM2KCNH2
SCHEMBL4325728 0.76 KDR (0.51) RETKDRFLT1FLT4
SCHEMBL4327440 0.76 FYN (0.52) RET
SCHEMBL4339484 0.74 RET (0.70) PIM1PIM2KCNH2RET
SCHEMBL4331345 0.73 CAMK2D (0.41) KCNH2RET

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 SCN5A 1169/4885DHFR 42/4885NTRK1 4538/4885

“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.