SCHEMBL6744546

SCHEMBL6744546

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 1.00
CYP2C9 P11712 3/20 1.00
HSPB1 P04792 1/20 1.00
MAPK11 Q15759 1/20 1.00

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
Gw782912X SCHEMBL6747431 0.95 MAPK14 (1.00) MAPK14CYP2C9HSPB1MAPK11
Gw782912X SCHEMBL5632189 0.95 MAPK14 (1.00) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL5632508 0.93 MAPK14 (1.00) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL5110583 0.92 MAPK14 (0.85) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL5102820 0.90 MAPK14 (0.80) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL5629868 0.89 MAPK14 (0.88) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL5630096 0.89 MAPK14 (0.87) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL5633077 0.88 MAPK14 (1.00) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL5632201 0.88 MAPK14 (0.79) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL6620463 0.88 MAPK14 (1.00) MAPK14CYP2C9HSPB1MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
US-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 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 (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-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK4, GRK4, NR4A1 MAPK14 28/4885CYP2C9 585/4885HSPB1 3656/4885
US-10441577-B2 Medicament for treatment of liver cancer PYGL, PFKL, GLS2 MAPK14 523/4885CYP2C9 2391/4885HSPB1 435/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 MAPK14 523/4885CYP2C9 2391/4885HSPB1 435/4885

“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.