SCHEMBL18366385

SCHEMBL18366385

CCn1ncc2cnc(C(=O)OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
LCK P06239 1/20 0.42
MAPK1 P28482 2/20 0.40
PTGER4 P35408 1/20 0.39
RIPK1 Q13546 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37

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
SCHEMBL30587557 1.00 NOTUM (0.43) NOTUMLCKMAPK1PTGER4RIPK1
SCHEMBL30174435 0.84 HTR2A (0.39) LCKMAPK1RIPK1IRAK4KDM4E
SCHEMBL24338626 0.84 HTR2A (0.39) LCKMAPK1RIPK1IRAK4KDM4E
SCHEMBL30587578 0.84 HTT (0.45) NOTUMRIPK1KDM4EMEN1GAA
SCHEMBL22888344 0.84 NOTUM (0.40) NOTUMLCKRIPK1KMT2APTGER3
SCHEMBL29268057 0.84 PDE1C (0.48) NOTUMLCKMAPK1RIPK1IRAK4
SCHEMBL30567624 0.84 PDE1C (0.48) NOTUMLCKMAPK1RIPK1IRAK4
SCHEMBL18366383 0.84 HTT (0.45) NOTUMRIPK1KDM4EMEN1GAA
SCHEMBL20262390 0.83 RIPK1 (0.49) LCKMAPK1RIPK1IRAK4KDM4E
SCHEMBL30039416 0.83 RIPK1 (0.49) LCKMAPK1RIPK1IRAK4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 CN 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
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN 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

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 NOTUM 1522/4885LCK 4712/4885MAPK1 4237/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 NOTUM 1522/4885LCK 4712/4885MAPK1 4237/4885

“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.