SCHEMBL4844959

SCHEMBL4844959

CC(C)(C)OC(=O)CNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.39
MAPK14 Q16539 13/20 0.39
DGAT2 Q96PD7 2/20 0.39
MAPK11 Q15759 1/20 0.36
LPAR2 Q9HBW0 1/20 0.35
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
CTSA P10619 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL4837199 0.92 DGAT2 (0.42) CCNT1MAPK14DGAT2MAPK11LPAR2
SCHEMBL4843308 0.91 DGAT2 (0.40) CCNT1MAPK14DGAT2MAPK11LPAR2
SCHEMBL4845132 0.90 MAPK14 (0.41) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4844592 0.89 MAPK14 (0.43) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4842004 0.87 MAPK14 (0.40) MAPK14DGAT2MAPK11LPAR2CTSA
SCHEMBL4013149 0.87 MAPK14 (0.40) MAPK14MAPK11CTSA
SCHEMBL14018978 0.85 MAPK14 (0.38) MAPK14DGAT2MAPK11LPAR2CTSA
SCHEMBL4842915 0.85 MAPK14 (0.38) MAPK14DGAT2MAPK11LPAR2CTSA
SCHEMBL4842430 0.85 MAPK14 (0.41) MAPK14MAPK11CTSA
SCHEMBL4837403 0.84 MAPK14 (0.42) MAPK14MAPK11LPAR2CTSAFFAR1

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 CCNT1 1105/4885MAPK14 70/4885DGAT2 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.