SCHEMBL18367248

SCHEMBL18367248

O=C(O)c1ncn(Cc2ncccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.42
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
ARG1 P05089 1/20 0.38
RIPK1 Q13546 5/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
HSD17B13 Q7Z5P4 2/20 0.35
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KLKB1 P03952 2/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL29080900 0.86 SLC40A1 (0.46) SLC40A1HDAC1HDAC6ARG1RIPK1
SCHEMBL30587462 0.84 SLC40A1 (0.41) SLC40A1HDAC1HDAC6RIPK1HDAC4
SCHEMBL18367255 0.84 SLC40A1 (0.41) SLC40A1HDAC1HDAC6RIPK1HDAC4
SCHEMBL18367260 0.83 SLC40A1 (0.42) SLC40A1HDAC1HDAC6RIPK1HSD17B13
SCHEMBL18367234 0.83 EGLN1 (0.40) RIPK1KLKB1
SCHEMBL22736834 0.81 CA5A (0.46) HDAC1HDAC6RIPK1HDAC4HDAC2
SCHEMBL18366876 0.80 RIPK1 (0.50) HDAC1HDAC6RIPK1HDAC4HDAC2
SCHEMBL30434549 0.80 RIPK1 (0.50) HDAC1HDAC6RIPK1HDAC4HDAC2
SCHEMBL18366890 0.78 RIPK1 (0.42) HDAC1HDAC6RIPK1HDAC4HDAC2
SCHEMBL30035923 0.78 RIPK1 (0.42) HDAC1HDAC6RIPK1HDAC4HDAC2

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
WO-2023119210-A1 NOVEL COMPOUND AS RIPK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 제일약품주식회사 2023-06-29 WO 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 SLC40A1 3554/4885HDAC1 256/4885HDAC6 786/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 SLC40A1 3554/4885HDAC1 256/4885HDAC6 786/4885

“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.