SCHEMBL4595497

SCHEMBL4595497

CC(C)c1ccc(Nc2ccn3ncc(Br)c3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.61
PIK3CG P48736 1/20 0.55
NFKB1 P19838 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
PIM1 P11309 2/20 0.38
RET P07949 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
AXL P30530 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 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
SCHEMBL4332309 0.82 PIM1 (0.47) FYNMEN1NPC1KMT2AATM
SCHEMBL4327519 0.79 FYN (0.78) FYNPIK3CGPIM1RET
SCHEMBL4569917 0.79 FYN (0.74) FYNPIK3CGPIM1RET
SCHEMBL4333400 0.79 FYN (0.78) FYNPIK3CGLMNASMN1; SMN2PIM1
SCHEMBL31462297 0.79 MAPT (0.44) FYNPIK3CGMEN1NPC1KMT2A
SCHEMBL4558233 0.77 FYN (0.61) FYNPIK3CGPIM1RET
SCHEMBL4594837 0.77 FYN (0.67) FYNPIK3CGTP53PIM1RET
SCHEMBL4558429 0.77 FYN (1.00) FYNPIK3CGPIM1RET
SCHEMBL4335549 0.77 FYN (0.74) FYNPIK3CGPIM1RET
SCHEMBL31462302 0.76 MAPT (0.49) FYNPIK3CGLMNATP53MEN1

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 5 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 disclosed
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
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
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 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 756/4885NFKB1 2114/4885

“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.