SCHEMBL4331345

SCHEMBL4331345

CN(c1ccncc1)c1ccn2ncc(-c3cccs3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 14/20 0.41
SMPD3 Q9NY59 2/20 0.39
KCNH2 Q12809 3/20 0.38
CYP17A1 P05093 1/20 0.37
RET P07949 2/20 0.35
MEN1 O00255 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL4338142 0.90 CAMK2D (0.40) CAMK2DSMPD3KCNH2CYP17A1MEN1
SCHEMBL4325728 0.81 KDR (0.51) SMPD3RETMEN1KMT2A
SCHEMBL4594847 0.74 PIM1 (0.51) CYP17A1RET
SCHEMBL4327440 0.73 FYN (0.52) SMPD3RETMEN1KMT2A
SCHEMBL4881184 0.73 PIM1 (0.39) CAMK2DKCNH2MEN1KMT2A
SCHEMBL4339486 0.73 SCN5A (0.51) KCNH2RET
SCHEMBL4333647 0.72 KDR (0.44) SMPD3
SCHEMBL4594565 0.72 PIM1 (0.53) KCNH2
SCHEMBL4331343 0.71 RET (0.70) RET
SCHEMBL4331125 0.70 PIM1 (0.42) SMPD3RET

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 CAMK2D 3441/4885SMPD3 873/4885KCNH2 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.