SCHEMBL4837740

SCHEMBL4837740

CC(C)(O)CNc1nc(Oc2ccc(F)cc2)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
FPR2 P25090 1/20 0.36
CNR1 P21554 3/20 0.34
CNR2 P34972 2/20 0.34
MAPK8 P45983 1/20 0.34
LMNA P02545 1/20 0.33
DGAT2 Q96PD7 7/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAOA P21397 1/20 0.32
MET P08581 2/20 0.31
AXL P30530 2/20 0.31
TYRO3 Q06418 2/20 0.31
MERTK Q12866 2/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 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
SCHEMBL4844554 0.90 CNR1 (0.35) CNR1CNR2MAPK8LMNAMET
SCHEMBL4013149 0.89 MAPK14 (0.40) CNR1METAXLTYRO3MERTK
SCHEMBL14018946 0.85 SCN9A (0.34) SCN9AMAPK8LMNADGAT2PDE2A
SCHEMBL4833086 0.85 SCN9A (0.34) SCN9AMAPK8LMNADGAT2PDE2A
SCHEMBL4842430 0.81 MAPK14 (0.41) CNR1MAPK8GSK3B
SCHEMBL4841759 0.80 PTGS2 (0.34) SCN9ACNR1CNR2DGAT2PDE2A
SCHEMBL4842631 0.77 L3MBTL1 (0.34) SCN9ALMNADGAT2PDE2APDE10A
SCHEMBL4840788 0.77 MAPK14 (0.39) METAXLTYRO3MERTK
SCHEMBL4833006 0.77 MAPK14 (0.43) MAPK8METAXLTYRO3MERTK
SCHEMBL14018790 0.76 MAPK14 (0.33) MAPK8LMNAMETAXLTYRO3

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-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US claimed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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 (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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 SCN9A 4259/4885FPR2 397/4885CNR1 1298/4885

“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.