SCHEMBL4833086

SCHEMBL4833086

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.34
ATM Q13315 1/20 0.34
DGAT2 Q96PD7 7/20 0.34
MAPK8 P45983 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAOA P21397 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL14018946 1.00 SCN9A (0.34) SCN9AATMDGAT2MAPK8PDE2A
SCHEMBL4840919 0.90 CTSA (0.32) DGAT2
SCHEMBL4833001 0.90 CNR1 (0.38)
SCHEMBL14018994 0.90 CNR1 (0.38)
SCHEMBL14018986 0.90 CTSA (0.32) DGAT2
SCHEMBL4842141 0.89 MAPK14 (0.33) ATMMAPK8LMNA
SCHEMBL14018790 0.89 MAPK14 (0.33) ATMMAPK8LMNA
SCHEMBL4840953 0.89 MAPK14 (0.35)
SCHEMBL14018972 0.89 MAPK14 (0.35)
SCHEMBL4017610 0.88 MAPK14 (0.42)

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 3 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-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 4259/4885ATM 180/4885DGAT2 4662/4885

“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.