SCHEMBL19913367

SCHEMBL19913367

Cc1cn[nH]c1C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL1B P01584 1/20 0.41
PDPK1 O15530 1/20 0.38
CFTR P13569 1/20 0.33
GRM1 Q13255 5/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM4 Q14833 3/20 0.32
FFAR1 O14842 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL1974907 0.77
SCHEMBL19195028 0.77
SCHEMBL29203595 0.75
SCHEMBL13162008 0.75
SCHEMBL23798125 0.74 IL1B (0.37) IL1BPDPK1CFTRGRM1
SCHEMBL23798534 0.72 PDPK1 (0.38) IL1BPDPK1CFTRGRM1MEN1
SCHEMBL23798519 0.72 IL1B (0.35) IL1BPDPK1CFTR
SCHEMBL25017479 0.67 TSHR (0.58) PDPK1MEN1ALDH1A1KMT2AFFAR1
Lactic Acid SCHEMBL19615593 0.67 TP53 (0.42) IL1BMEN1ALDH1A1KMT2ALMNA
SCHEMBL22911355 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 IL1B 2104/4885PDPK1 73/4885CFTR 366/4885

“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.