SCHEMBL30035995

SCHEMBL30035995

NC(=O)c1ncn(Cc2ccc(F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.52
HDAC6 Q9UBN7 7/20 0.52
RIPK1 Q13546 2/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOB P27338 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL18366892 0.86 HDAC1 (0.53) HDAC1HDAC6RIPK1KLKB1KLK1
SCHEMBL30092574 0.85 HDAC1 (0.45) HDAC1HDAC6KLKB1KLK1LMNA
SCHEMBL11584045 0.84 KLKB1 (0.50) HDAC1HDAC6RIPK1KLKB1KLK1
SCHEMBL30092556 0.84 CACNA1G (0.50) HDAC1HDAC6KLKB1KLK1
SCHEMBL18366885 0.81 HDAC1 (0.52) HDAC1HDAC6RIPK1KLKB1KLK1
SCHEMBL24310340 0.80 HDAC1 (0.48) HDAC1HDAC6RIPK1MAPTALDH1A1
SCHEMBL30092552 0.80 HDAC1 (0.45) HDAC1HDAC6RIPK1KLKB1SMN1; SMN2
SCHEMBL30092573 0.80 RIPK1 (0.43) HDAC1HDAC6RIPK1
SCHEMBL751549 0.79 HDAC1 (0.47) HDAC1HDAC6LMNAMAPTHTT
SCHEMBL30525773 0.78 GABRA1 (0.39) HDAC1HDAC6RIPK1KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
US-20220348559-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-11-03 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 (1 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-20220348559-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 HDAC1 256/4885HDAC6 786/4885RIPK1 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.