SCHEMBL4335500

SCHEMBL4335500

COc1ccc(NC(=O)c2ccc(-c3cnn4ccc(Nc5ccc(N6CCOCC6)cc5)nc34)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.68
MAPT P10636 7/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
NR4A1 P22736 1/20 0.51
MCL1 Q07820 1/20 0.51
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
NPC1 O15118 2/20 0.49
CSF1R P07333 2/20 0.48
DAPK1 P53355 2/20 0.48
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
FLT3 P36888 1/20 0.46

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
SCHEMBL4594696 0.91 FYN (0.81) FYNMAPTRAB9AKMT2ABRAF
SCHEMBL4327287 0.83 FYN (0.86) FYNMAPTKMT2ACSF1RMAPK1
SCHEMBL14308670 0.83 FYN (0.68) FYNMAPTKDRMAPK1
SCHEMBL4347086 0.81 FYN (1.00) FYNMAPTKMT2AKDRMAPK1
SCHEMBL4333591 0.81 FYN (0.71) FYNKDR
SCHEMBL4338220 0.81 FYN (0.67) FYNKDRFLT3
SCHEMBL4335453 0.81 FYN (0.82) FYN
SCHEMBL4335794 0.80 FYN (0.69) FYNKDR
SCHEMBL4594592 0.80 FYN (0.74) FYNMAPTRAB9AKMT2ANPC1
SCHEMBL4340286 0.80 FYN (0.66) FYNFLT3

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 FYN 151/4885MAPT 2762/4885RAB9A 3929/4885

“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.