SCHEMBL4594696

SCHEMBL4594696

COc1ccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.81
MAPK1 P28482 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
JAK2 O60674 5/20 0.49
JAK3 P52333 4/20 0.49
PTK2 Q05397 4/20 0.49
KDR P35968 3/20 0.49
ABL1 P00519 2/20 0.49
NTRK1 P04629 2/20 0.49
YES1 P07947 2/20 0.49
PIM1 P11309 1/20 0.49
HIPK1 Q86Z02 1/20 0.49
PIK3CG P48736 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
BRAF P15056 1/20 0.47
RET P07949 1/20 0.46
TGFBR2 P37173 1/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL4327287 0.91 FYN (0.86) FYNMAPK1TAAR1JAK2JAK3
SCHEMBL14308670 0.91 FYN (0.68) FYNMAPK1JAK2JAK3KDR
SCHEMBL4335500 0.91 FYN (0.68) FYNMAPK1KDRKMT2AMEN1
SCHEMBL4347086 0.90 FYN (1.00) FYNMAPK1TAAR1JAK2JAK3
SCHEMBL4335453 0.89 FYN (0.82) FYNJAK2JAK3PTK2PIM1
SCHEMBL4335794 0.88 FYN (0.69) FYNJAK2JAK3PTK2KDR
SCHEMBL4594592 0.88 FYN (0.74) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4333591 0.88 FYN (0.71) FYNJAK2JAK3PTK2KDR
SCHEMBL4340286 0.88 FYN (0.66) FYNJAK2JAK3PTK2ABL1
SCHEMBL4338220 0.87 FYN (0.67) FYNJAK2JAK3PTK2KDR

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 FYN 151/4885MAPK1 1247/4885TAAR1 4531/4885

“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.