SCHEMBL4833005

SCHEMBL4833005

CS(=O)(=O)N1CCC(Nc2nc(Oc3ccc(F)cc3F)nc3[nH]nc(-c4ccccc4Cl)c23)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
MAPK8 P45983 2/20 0.45
GPR6 P46095 1/20 0.40
MAPK11 Q15759 1/20 0.38
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CDK2 P24941 2/20 0.37
CNR1 P21554 2/20 0.37
TDO2 P48775 1/20 0.36

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
SCHEMBL4016190 0.91 MAPK14 (0.68) MAPK14MAPK8GPR6MAPK11CDK1
SCHEMBL4021137 0.90 MAPK14 (0.67) MAPK14MAPK8GPR6MAPK11CDK1
SCHEMBL4840914 0.85 MAPK14 (0.48) MAPK14MAPK8GPR6MAPK11CNR1
SCHEMBL4837191 0.81 MAPK14 (0.46) MAPK14MAPK8MAPK11
SCHEMBL4844809 0.80 MAPK14 (0.53) MAPK14MAPK8MAPK11TDO2
SCHEMBL4840801 0.80 MAPK14 (0.59) MAPK14MAPK8MAPK11
SCHEMBL4842964 0.80 MAPK14 (0.40) MAPK14
SCHEMBL14018856 0.80 MAPK14 (0.40) MAPK14
SCHEMBL14018863 0.80 MAPK14 (0.40) MAPK14
SCHEMBL4832823 0.80 MAPK14 (0.40) MAPK14

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 70/4885MAPK8 16/4885GPR6 1510/4885

“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.