SCHEMBL3864308

SCHEMBL3864308

C[C@H](CS(C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 1.00
MAPK11 Q15759 2/20 1.00
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51

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
SCHEMBL3865498 1.00 MAPK14 (1.00) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3864588 1.00 MAPK14 (1.00) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3863780 0.92 MAPK14 (0.85) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3866665 0.91 MAPK14 (0.83) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3864614 0.91 MAPK14 (0.83) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3864620 0.91 MAPK14 (0.83) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3862922 0.89 MAPK14 (0.80) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3864460 0.89 MAPK14 (0.79) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3869995 0.88 MAPK14 (0.81) MAPK14MAPK11MAPK8
SCHEMBL3820480 0.85 MAPK14 (1.00) MAPK14MAPK11MAPK8

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 12 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-10441577-B2 Medicament for treatment of liver cancer HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG (DE) 2019-10-15 US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 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-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
EP-1919913-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP 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
WO-2007023110-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
WO-2007023110-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO 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 (3 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-10441577-B2 Medicament for treatment of liver cancer PYGL, PFKL, GLS2 MAPK14 523/4885MAPK11 684/4885MAPK8 740/4885
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 MAPK14 36/4885MAPK11 39/4885MAPK8 27/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 MAPK14 523/4885MAPK11 684/4885MAPK8 740/4885

“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.