SCHEMBL18367281

SCHEMBL18367281

Cc1ncccc1Cn1cnc(C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.40
GABRA5 P31644 1/20 0.40
CYP2C9 P11712 1/20 0.39
NAMPT P43490 1/20 0.39
RIPK1 Q13546 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
P2RX7 Q99572 2/20 0.37
CHRM1 P11229 1/20 0.37
GAA P10253 1/20 0.36
FFAR1 O14842 1/20 0.36
MYC P01106 2/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL28414528 0.85 MEN1 (0.41) KLKB1GABRA5CYP2C9NAMPTRIPK1
SCHEMBL18367125 0.83 LMNA (0.47) KLKB1RIPK1KDM4EMAPT
SCHEMBL18367234 0.81 EGLN1 (0.40) KLKB1RIPK1MYC
SCHEMBL30587516 0.78 MEN1 (0.52) KDM4EMAPT
SCHEMBL18367123 0.78 MEN1 (0.52) KDM4EMAPT
SCHEMBL18366877 0.77 POLB (0.54) KLKB1CYP1A2GAA
SCHEMBL30092739 0.77 POLB (0.54) KLKB1CYP1A2GAA
SCHEMBL30434549 0.77 RIPK1 (0.50) RIPK1
SCHEMBL25761668 0.77 ALDH1A1 (0.44) KLKB1KDM4EMAPT
SCHEMBL18366876 0.77 RIPK1 (0.50) RIPK1

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 11 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
EP-3317269-B1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2022-09-21 EP 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
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 KLKB1 2482/4885GABRA5 899/4885CYP2C9 34/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 KLKB1 2482/4885GABRA5 899/4885CYP2C9 34/4885

“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.