SCHEMBL5677101

SCHEMBL5677101

CC(C)(C)OC(=O)n1c(C#N)cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.59
NR1H3 Q13133 3/20 0.57
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL16031735 0.84 NR1H2 (0.43) NR1H2NR1H3CA12CA9
SCHEMBL21147087 0.83 NR1H2 (0.51) NR1H2NR1H3CA12CA9
SCHEMBL14816842 0.83 NR1H2 (0.45) NR1H2NR1H3CA12CA9
SCHEMBL17022654 0.82 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL20683662 0.82 NR1H2 (0.53) NR1H2NR1H3CA12CA9
SCHEMBL1079096 0.81 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL16090764 0.81 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL16090783 0.81 NR1H2 (0.40) NR1H2NR1H3CA12CA9
SCHEMBL4760328 0.80 NR1H2 (0.68) NR1H2NR1H3CA12CA9
SCHEMBL16030138 0.80 NR1H2 (0.47) NR1H2NR1H3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060093666-A1 Formulations for tyrosine kinase inhibitors MERCK & CO., INC. 2006-05-04 US disclosed
CN-1764381-A The preparation that is used for tyrosine kinase inhibitor MERCK & CO INC (US) 2006-04-26 CN disclosed
EP-1610614-A2 FORMULATIONS FOR TYROSINE KINASE INHIBITORS Merck & Co. Inc. (US) 2006-01-04 EP disclosed
WO-2004087651-A2 FORMULATIONS FOR TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2004-10-14 WO disclosed
US-20020198252-A1 Process for the preparation of alkylamine substituted indoles PAYACK JOSEPH (US) 2002-12-26 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-20060093666-A1 Formulations for tyrosine kinase inhibitors ABL1, ERBB2, JAK1 NR1H2 4838/4885NR1H3 4861/4885CA12 4877/4885
US-20020198252-A1 Process for the preparation of alkylamine substituted indoles INMT, IDO1, ABL1 NR1H2 2886/4885NR1H3 2622/4885CA12 4855/4885

“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.