SCHEMBL18367234

SCHEMBL18367234

Cc1cccnc1Cn1cnc(C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.40
KLKB1 P03952 3/20 0.39
RIPK1 Q13546 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
EGLN3 Q9H6Z9 2/20 0.36
KCNH2 Q12809 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
MYC P01106 2/20 0.35
TRPC5 Q9UL62 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
SCHEMBL19659421 0.89 KLKB1 (0.36) EGLN1KLKB1RIPK1ADORA2AADORA1
SCHEMBL30587613 0.88 KLKB1 (0.38) EGLN1KLKB1RIPK1ADORA2AADORA1
SCHEMBL29080895 0.86 SSTR4 (0.37) EGLN1KLKB1RIPK1ADORA2AADORA1
SCHEMBL18367236 0.85 ADORA2A (0.40) KLKB1RIPK1ADORA2AADORA1
SCHEMBL18367248 0.83 SLC40A1 (0.42) KLKB1RIPK1
SCHEMBL18367260 0.83 SLC40A1 (0.42) EGLN1KLKB1RIPK1
SCHEMBL18367281 0.81 KLKB1 (0.40) KLKB1RIPK1MYC
SCHEMBL18367125 0.80 LMNA (0.47) KLKB1RIPK1
SCHEMBL22887714 0.77 MEN1 (0.38) EGLN1EGLN3TRPC5
SCHEMBL18367244 0.75 KDM4C (0.46)

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
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 EGLN1 1135/4885KLKB1 2482/4885RIPK1 3064/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 EGLN1 1135/4885KLKB1 2482/4885RIPK1 3064/4885

“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.