SCHEMBL4842631

SCHEMBL4842631

CCNS(=O)(=O)NNc1nc(Oc2ccc(F)cc2)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
DGAT2 Q96PD7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
PTGS2 P35354 1/20 0.30
SCN9A Q15858 1/20 0.30
MAPK14 Q16539 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4841715 0.85 DGAT2 (0.32) L3MBTL1DGAT2PDE2APDE10APTGS2
SCHEMBL4841759 0.80 PTGS2 (0.34) L3MBTL1DGAT2MEN1KMT2APDE2A
SCHEMBL4841726 0.78 DGAT2 (0.36) L3MBTL1DGAT2PTGS2LMNA
SCHEMBL4842636 0.78 DGAT2 (0.33) L3MBTL1DGAT2PDE2APDE10APTGS2
SCHEMBL4833086 0.77 SCN9A (0.34) DGAT2PDE2APDE10ASCN9ALMNA
SCHEMBL4837740 0.77 SCN9A (0.36) DGAT2PDE2APDE10ASCN9ALMNA
SCHEMBL14018946 0.77 SCN9A (0.34) DGAT2PDE2APDE10ASCN9ALMNA
SCHEMBL13764811 0.72 MAPK14 (0.45) PTGS2SCN9AMAPK14
SCHEMBL4833043 0.71 MAPK14 (0.48) PTGS2SCN9AMAPK14
SCHEMBL4839507 0.71 MAPK14 (0.49) PTGS2MAPK14

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 2 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-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 L3MBTL1 3443/4885DGAT2 4662/4885MEN1 3629/4885

“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.