SCHEMBL399285

SCHEMBL399285

CNS(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 1.00
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
FECH P22830 1/20 0.73
MST1R Q04912 1/20 0.73

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
SCHEMBL400059 0.90 MET (1.00) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL398297 0.90 MET (0.86) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL400225 0.89 MET (0.80) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL401276 0.88 MET (1.00) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL400072 0.88 MET (1.00) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL399288 0.88 MET (0.84) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL399926 0.88 MET (1.00) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL399928 0.88 MET (0.87) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL401837 0.88 MET (0.82) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL400639 0.87 MET (0.85) METCYP3A4CYP2D6CYP2C9FECH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049494-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2014-06-25 EP claimed
US-8222269-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-17 US claimed
US-8101603-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-01-24 US claimed
US-20090203684-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-08-13 US claimed
EP-2049494-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP claimed
US-20090012076-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-01-08 US claimed
WO-2008008310-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2008-01-17 WO claimed
EP-2049494-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
US-8222269-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-17 US disclosed
US-8222269-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-17 US disclosed
US-8222269-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-17 US disclosed
US-8101603-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-01-24 US disclosed
US-8101603-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-01-24 US disclosed
US-8101603-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-01-24 US disclosed
US-20090203684-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
US-20090203684-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
US-20090203684-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
US-20090012076-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-01-08 US disclosed
US-20090012076-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-01-08 US disclosed
US-20090012076-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-01-08 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 (2 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-20090012076-A1 Tyrosine kinase inhibitors ABL1, ERBB2, MET MET 3/4885CYP3A4 3774/4885CYP2D6 3284/4885
US-20090203684-A1 Tyrosine kinase inhibitors ABL1, MET, ERBB2 MET 2/4885CYP3A4 3658/4885CYP2D6 2789/4885

“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.