SCHEMBL4842831

SCHEMBL4842831

Fc1ccc(Oc2nc(NCCNc3ncccn3)c3c(-c4ccccc4Cl)n[nH]c3n2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
MAPK11 Q15759 1/20 0.36
MAPK8 P45983 1/20 0.34
TRPA1 O75762 2/20 0.34
SCN9A Q15858 1/20 0.33
GRM4 Q14833 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
SCHEMBL4833067 0.90 MAPK14 (0.42) MAPK14MAPK11TRPA1
SCHEMBL4832609 0.87 MAPK14 (0.41) MAPK14MAPK11MAPK8TRPA1
SCHEMBL4013138 0.87 MAPK14 (0.43) MAPK14MAPK11TRPA1
SCHEMBL4841418 0.86 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL14018955 0.86 MAPK14 (0.44) MAPK14MAPK11MAPK8TRPA1SCN9A
SCHEMBL4833043 0.86 MAPK14 (0.48) MAPK14MAPK11MAPK8SCN9A
SCHEMBL4837403 0.86 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL4840924 0.85 MAPK14 (0.49) MAPK14MAPK11TRPA1SCN9A
SCHEMBL4840590 0.85 MAPK14 (0.40) MAPK14MAPK11TRPA1
SCHEMBL4833047 0.85 MAPK14 (0.41) 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 75/4885MAPK8 16/4885

“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.