SCHEMBL4021137

SCHEMBL4021137

CS(=O)(=O)N1CCC(Nc2nc(Oc3ccc(F)cc3F)nc3[nH]nc(-c4cc(F)ccc4F)c23)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.67
MAPK8 P45983 2/20 0.48
GPR6 P46095 1/20 0.41
MAPK11 Q15759 1/20 0.40
CDK1 P06493 2/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CDK2 P24941 2/20 0.40
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
TDO2 P48775 1/20 0.39

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 0.94 MAPK14 (0.68) MAPK14MAPK8GPR6MAPK11CDK1
SCHEMBL4833005 0.90 MAPK14 (0.62) MAPK14MAPK8GPR6MAPK11CDK1
SCHEMBL3863584 0.80 MAPK14 (1.00) MAPK14MAPK8MAPK11CDK1CDK4
SCHEMBL4015105 0.78 MAPK14 (0.57) MAPK14MAPK8MAPK11TDO2
SCHEMBL4495087 0.78 MAPK14 (0.64) MAPK14MAPK8MAPK11
SCHEMBL4021362 0.77 MAPK14 (0.51) MAPK14MAPK8MAPK11TDO2
SCHEMBL4020032 0.74 MAPK14 (0.43) MAPK14MAPK11
SCHEMBL4840914 0.74 MAPK14 (0.48) MAPK14MAPK8GPR6MAPK11CCNT1
SCHEMBL4016081 0.73 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL4015197 0.73 MAPK14 (0.46) MAPK14MAPK11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US claimed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US claimed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK14 33/4885MAPK8 19/4885GPR6 3681/4885

“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.