SCHEMBL5451038

SCHEMBL5451038

CC(=O)c1c(-c2ccc(Cl)c(Br)c2)nn2c(NC3CCCC3)cccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
FYN P06241 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.32
PDE4B Q07343 1/20 0.32
ATM Q13315 1/20 0.32
CNR1 P21554 5/20 0.32
CNR2 P34972 4/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL6104555 0.87 ATM (0.40) MAPTTP53FYNKDM4EALDH1A1
SCHEMBL6105090 0.86 TP53 (0.47) MAPTTP53FYNKDM4EALDH1A1
SCHEMBL5453415 0.86 MAPT (0.36) MAPTTP53FYNALDH1A1GAA
SCHEMBL5453422 0.86 MAPT (0.36) MAPTTP53FYNALDH1A1GAA
SCHEMBL5459554 0.83 ALOX5 (0.42) MAPTTP53FYNKDM4EALDH1A1
SCHEMBL6106788 0.82 ALDH1A1 (0.38) MAPTTP53FYNKDM4EALDH1A1
SCHEMBL5212848 0.82 GAA (0.40) MAPTFYNKDM4EALDH1A1GAA
SCHEMBL5457446 0.81 MAPK14 (0.36) KDM4EALDH1A1RAB9ANPC1RXFP1
SCHEMBL6105851 0.81 MAPT (0.42) MAPTTP53ALDH1A1RAB9ACNR1
SCHEMBL5212553 0.79 GAA (0.42) FYNGAAPDE4BATMMEN1

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-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP disclosed
US-20050049260-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 US 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 (2 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 MAPT 1659/4885TP53 1396/4885FYN 929/4885
US-20050049260-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 MAPT 696/4885TP53 3084/4885FYN 1889/4885

“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.