SCHEMBL4842430

SCHEMBL4842430

CC(C)(O)CCNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.41
MAPK11 Q15759 1/20 0.35
CNR1 P21554 1/20 0.33
TRPA1 O75762 1/20 0.33
CTSA P10619 1/20 0.33
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PRKCG P05129 1/20 0.32
EPHA2 P29317 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CSNK1G3 Q9Y6M4 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
SCHEMBL4013149 0.93 MAPK14 (0.40) MAPK14MAPK11CNR1TRPA1CTSA
SCHEMBL4013138 0.87 MAPK14 (0.43) MAPK14MAPK11TRPA1CTSACLK4
SCHEMBL4837199 0.87 DGAT2 (0.42) MAPK14MAPK11CNR1CTSA
SCHEMBL4833067 0.86 MAPK14 (0.42) MAPK14MAPK11TRPA1
SCHEMBL4837403 0.86 MAPK14 (0.42) MAPK14MAPK11CTSA
SCHEMBL4843308 0.85 DGAT2 (0.40) MAPK14MAPK11CTSA
SCHEMBL4844554 0.85 CNR1 (0.35) MAPK14CNR1CTSAMAPK8
SCHEMBL4833047 0.85 MAPK14 (0.41) MAPK14MAPK11TRPA1CTSA
SCHEMBL4844902 0.85 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4840590 0.85 MAPK14 (0.40) MAPK14MAPK11TRPA1

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 MAPK14 70/4885MAPK11 75/4885CNR1 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.