SCHEMBL18096366

SCHEMBL18096366

COc1ccc(Cn2ncc(C)c2N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ UCHL1 P09936 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BACE1 P56817 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ CTSE P14091 1/20 0.38
▸ NPBWR1 P48145 5/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ CACNA1H O95180 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PREP P48147 1/20 0.35

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
SCHEMBL19895446 0.88 UCHL1 (0.42) UCHL1LMNANPBWR1MCHR1L3MBTL1
SCHEMBL18096189 0.84 BACE1 (0.40) TP53UCHL1LMNAMAPTSMN1; SMN2
SCHEMBL18096166 0.82 BACE1 (0.38) TP53LMNAMAPTSMN1; SMN2BACE1
SCHEMBL18096320 0.82 BACE1 (0.40) TP53LMNAMAPTSMN1; SMN2BACE1
SCHEMBL19913894 0.81 KDM1A (0.43) TP53LMNAMAPTSMN1; SMN2BACE1
SCHEMBL18096035 0.79 KDM1A (0.43) TP53LMNAMAPTSMN1; SMN2BACE1
SCHEMBL18096061 0.78 NPBWR1 (0.44) UCHL1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL19895449 0.74 KDM1A (0.36) TP53UCHL1LMNAMAPTSMN1; SMN2
SCHEMBL14801797 0.72 MAPT (0.51) TP53LMNAMAPTSMN1; SMN2BACE1
SCHEMBL18096081 0.70 SCD (0.44) TP53LMNAMAPT

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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
WO-2016154075-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-29 — — WO 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 TP53 1598/4885UCHL1 4670/4885LMNA 1082/4885

“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.

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