SCHEMBL18614531

SCHEMBL18614531

COC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.52
BRAF P15056 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL30421078 1.00 LCK (0.52) LCKBRAFRAB9ANPC1SMN1; SMN2
SCHEMBL18614352 0.89 LCK (0.47) LCKBRAF
SCHEMBL30391011 0.83 LCK (0.53) LCKBRAF
SCHEMBL22406193 0.83 LCK (0.53) LCKBRAF
SCHEMBL30492124 0.82 LCK (0.52) LCKBRAFRAB9A
SCHEMBL172100 0.82 LCK (0.52) LCKBRAFRAB9A
SCHEMBL31452317 0.82 LCK (0.54) LCKBRAFRAB9ANPC1SMN1; SMN2
SCHEMBL22392796 0.78 LCK (0.51) LCK
SCHEMBL30421451 0.78 LCK (0.51) LCK
SCHEMBL31452237 0.78 BRAF (0.49) LCKBRAF

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260007680-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2026-01-08 US disclosed
WO-2024038132-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO disclosed
EP-3704106-B1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-12 EP disclosed
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-09 US disclosed
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-09 US disclosed
US-20200283430-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-20200283430-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
EP-3704106-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
EP-3347361-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
EP-3347361-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2018-09-04 US disclosed
EP-3347361-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE H. Hoffnabb-La Roche Ag (CH) 2018-07-18 EP disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 US disclosed
WO-2017042182-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 WO disclosed
WO-2017042182-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 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 (6 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-20260007680-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B LCK 3650/4885BRAF 2003/4885RAB9A 1082/4885
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB LCK 434/4885BRAF 66/4885RAB9A 1196/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB LCK 434/4885BRAF 66/4885RAB9A 1196/4885
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators FXR1, NR1H2, NR1H4 LCK 693/4885BRAF 1264/4885RAB9A 2928/4885
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB LCK 434/4885BRAF 66/4885RAB9A 1196/4885
US-20200283430-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H2, NR1H4 LCK 693/4885BRAF 1264/4885RAB9A 2928/4885

“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.