SCHEMBL18366240

SCHEMBL18366240

CNc1nc2ccccc2n1CCCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HSD17B10 Q99714 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 2/20 0.52
USP2 O75604 2/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.48
HTT P42858 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL28890678 0.83 KDM4E (0.56) KDM4EMEN1KMT2AHSD17B10NPSR1
SCHEMBL540948 0.80 FAAH (0.57) KDM4EHSD17B10NPSR1TSHRLMNA
SCHEMBL1520208 0.78 KDM4E (0.57) KDM4EMEN1KMT2AHSD17B10TSHR
SCHEMBL28591326 0.76 PIN1 (0.64) KDM4ENPSR1TSHRLMNATP53
SCHEMBL14616345 0.76 ALDH1A1 (0.58) KDM4EHSD17B10TSHRLMNATP53
SCHEMBL13500532 0.76 IRAK4 (0.80) IRAK4ITK
SCHEMBL3797744 0.76 MAP3K7 (0.60) KDM4EMEN1KMT2AHSD17B10NPSR1
SCHEMBL9697129 0.75 KDM4E (0.57) KDM4EMEN1KMT2AHSD17B10TSHR
SCHEMBL11512747 0.75 KDM4E (0.57) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL6829039 0.75 KDM4E (0.53) KDM4EKMT2AHSD17B10LMNAALDH1A1

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 KDM4E 3546/4885MEN1 128/4885KMT2A 3390/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 KDM4E 3546/4885MEN1 128/4885KMT2A 3390/4885

“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.