SCHEMBL3863584

SCHEMBL3863584

CS(=O)(=O)N1CCC(Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 1.00
MAPK11 Q15759 1/20 0.60
MAPK8 P45983 2/20 0.54
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CDK2 P24941 2/20 0.47

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
SCHEMBL13646146 0.87 MAPK14 (0.77) MAPK14MAPK11MAPK8
SCHEMBL3866322 0.86 MAPK14 (1.00) MAPK14MAPK11MAPK8
SCHEMBL3962839 0.84 MAPK14 (0.80) MAPK14MAPK11MAPK8
SCHEMBL13646270 0.83 MAPK14 (1.00) MAPK14MAPK11MAPK8
SCHEMBL3866628 0.83 MAPK14 (1.00) MAPK14MAPK11MAPK8
SCHEMBL3876871 0.83 MAPK14 (0.81) MAPK14MAPK11MAPK8
SCHEMBL13646177 0.82 MAPK14 (0.69) MAPK14MAPK11MAPK8
SCHEMBL3869566 0.81 MAPK14 (0.68) MAPK14MAPK11MAPK8
SCHEMBL13646254 0.81 MAPK14 (0.68) MAPK14MAPK11MAPK8
SCHEMBL4016190 0.81 MAPK14 (0.68) MAPK14MAPK11MAPK8CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US claimed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 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-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 MAPK14 36/4885MAPK11 39/4885MAPK8 27/4885

“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.