SCHEMBL14652011

SCHEMBL14652011

CC(C)CCCCNS(=O)(=O)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.75
GRIA4 P48058 3/20 0.39
LMNA P02545 1/20 0.37
NPY5R Q15761 6/20 0.36
PPARA Q07869 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HTR1A P08908 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL23542459 0.93 GRIA1 (0.71) GRIA1GRIA4LMNANPY5RCA12
SCHEMBL7042049 0.86 GRIA1 (1.00) GRIA1GRIA4LMNANPY5RPPARA
SCHEMBL7039391 0.86 GRIA1 (1.00) GRIA1GRIA4LMNANPY5RPPARA
SCHEMBL7109326 0.86 GRIA1 (1.00) GRIA1GRIA4LMNANPY5RPPARA
SCHEMBL18198023 0.84 GRIA1 (0.62) GRIA1GRIA4
SCHEMBL12232575 0.83 GRIA1 (0.57) GRIA1LMNAPPARACA1CA2
SCHEMBL4762362 0.80 GRIA1 (0.46) GRIA1LMNAPPARACA12CA1
SCHEMBL14654996 0.80 GRIA1 (0.78) GRIA1PPARACA12CA1CA2
SCHEMBL1726875 0.80 GRIA1 (0.46) GRIA1LMNAPPARACA12CA1
SCHEMBL24137992 0.79 GRIA1 (0.62) GRIA1GRIA4NPY5RCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 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-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 GRIA1 1537/4885GRIA4 2941/4885LMNA 4229/4885

“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.