SCHEMBL18367145

SCHEMBL18367145

Cc1nc(C)n2c1N(C)C(=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
PIK3CD O00329 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL18367000 0.83 BRD4 (0.38) BRD4BRD2L3MBTL1POLBALDH1A1
SCHEMBL18367149 0.83 BRD4 (0.38) BRD4BRD2L3MBTL1POLBALDH1A1
SCHEMBL18366524 0.70 CYP11B1 (0.45) BRD4BRD2L3MBTL1CYP11B1CYP11B2
SCHEMBL18365837 0.70 CYP3A4 (0.37) APEX1TDP1
SCHEMBL18366021 0.69 BRD4 (0.38) BRD4BRD2L3MBTL1CYP11B1CYP11B2
SCHEMBL18366921 0.69 BRD4 (0.38) BRD4BRD2L3MBTL1SMN1; SMN2PIK3CD
SCHEMBL18366999 0.68 BRD4 (0.37) BRD4BRD2
SCHEMBL21261809 0.66 BRD4 (0.50) BRD4BRD2L3MBTL1POLBALDH1A1
SCHEMBL21261855 0.66 BRD4 (0.50) BRD4BRD2L3MBTL1POLBALDH1A1
SCHEMBL18366179 0.66 BRD4 (0.38) BRD4BRD2L3MBTL1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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 (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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 BRD4 785/4885BRD2 1759/4885L3MBTL1 2686/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 BRD4 785/4885BRD2 1759/4885L3MBTL1 2686/4885

“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.