SCHEMBL4837191

SCHEMBL4837191

CS(=O)(=O)N1CCN(CCOc2nc(Oc3ccc(F)cc3F)nc3[nH]nc(-c4ccccc4Cl)c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
MAPK11 Q15759 1/20 0.38
MAPK8 P45983 1/20 0.36
HTR1A P08908 3/20 0.36
HTR7 P34969 3/20 0.36
BRD4 O60885 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ERBB2 P04626 3/20 0.35
EGFR P00533 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL4836011 0.91 ERBB2 (0.40) MAPK14MAPK8ERBB2EGFR
SCHEMBL4832943 0.90 TSHR (0.39) MAPK14ERBB2EGFR
SCHEMBL4844936 0.88 MAPK14 (0.41) MAPK14BRD4ERBB2EGFR
SCHEMBL4842056 0.87 EGFR (0.40) MAPK14MAPK8ERBB2EGFR
SCHEMBL4844854 0.86 MAPK14 (0.48) MAPK14MAPK11SCN5ASCN9A
SCHEMBL4840914 0.85 MAPK14 (0.48) MAPK14MAPK11MAPK8
SCHEMBL14019109 0.85 SCN9A (0.45) MAPK14MAPK11BRD4SCN5ASCN9A
SCHEMBL4837424 0.84 EGFR (0.41) MAPK14HTR1ABRD4ERBB2EGFR
SCHEMBL4832958 0.84 SCN9A (0.46) MAPK14MAPK11BRD4SCN5ASCN9A
SCHEMBL14019076 0.83 SCN9A (0.45) MAPK14BRD4SCN5ASCN9ALMNA

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.