SCHEMBL4558709

SCHEMBL4558709

COc1ccc(C(C)C)cc1-c1cnn2ccc(C(N)c3cccnc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.44
PIK3CG P48736 2/20 0.42
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TGFBR2 P37173 3/20 0.37
ACVR2A P27037 2/20 0.37
PIM1 P11309 3/20 0.36
CTSA P10619 2/20 0.35
PRKCA P17252 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
TGFBR1 P36897 1/20 0.34
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL4557498 0.89 PIK3CG (0.42) FYNPIK3CGMAPTSMN1; SMN2MEN1
SCHEMBL4334404 0.87 FYN (0.56) FYNPIK3CGMAPTSMN1; SMN2MEN1
SCHEMBL4593820 0.85 FYN (0.59) FYNPIK3CGMAPTSMN1; SMN2MEN1
SCHEMBL4334620 0.84 FYN (0.44) FYNMAPTSMN1; SMN2MEN1NPC1
SCHEMBL4335910 0.83 FYN (0.45) FYNPIK3CGMAPTSMN1; SMN2MEN1
SCHEMBL4342466 0.80 TGFBR2 (0.57) FYNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4595026 0.79 FYN (0.49) FYNMAPTSMN1; SMN2MEN1NPC1
SCHEMBL4594795 0.78 PIM1 (0.44) FYNMAPTSMN1; SMN2MEN1NPC1
SCHEMBL4558710 0.77 FYN (0.75) FYNPIK3CGPIM1
SCHEMBL4595639 0.77 PIM1 (0.60) FYNPIM1

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 151/4885PIK3CG 756/4885MAPT 2762/4885

“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.