SCHEMBL18367255

SCHEMBL18367255

COC(=O)c1ncn(Cc2ncccc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.41
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
NOTUM Q6P988 1/20 0.38
RIPK1 Q13546 7/20 0.38
ADORA2A P29274 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
EED O75530 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
KLKB1 P03952 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL30587462 1.00 SLC40A1 (0.41) SLC40A1HDAC1HDAC6NOTUMRIPK1
SCHEMBL18367236 0.86 ADORA2A (0.40) NOTUMRIPK1ADORA2AKLKB1KDM4E
SCHEMBL18367259 0.85 NOTUM (0.46) SLC40A1NOTUMRIPK1KLKB1KDM4E
SCHEMBL30587508 0.85 NOTUM (0.46) SLC40A1NOTUMRIPK1KLKB1KDM4E
SCHEMBL18367248 0.84 SLC40A1 (0.42) SLC40A1HDAC1HDAC6RIPK1HDAC4
SCHEMBL22736832 0.83 CA5A (0.42) HDAC1HDAC6NOTUMRIPK1EED
SCHEMBL18366884 0.82 RIPK1 (0.52) HDAC1HDAC6RIPK1HDAC4HDAC2
SCHEMBL30587636 0.82 RIPK1 (0.52) HDAC1HDAC6RIPK1HDAC4HDAC2
SCHEMBL18366888 0.80 RIPK1 (0.46) HDAC1HDAC6NOTUMRIPK1HDAC4
SCHEMBL30092641 0.80 RIPK1 (0.46) HDAC1HDAC6NOTUMRIPK1HDAC4

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 10 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
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.