SCHEMBL28055196

SCHEMBL28055196

CC(C)(C)OC(=O)NCC1(C=O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.40
EPHX1 P07099 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CTSK P43235 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APLNR P35414 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33

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
SCHEMBL5962444 0.98 EPHX1 (0.41) HCRTR2EPHX1TDP1MAOAMAOB
SCHEMBL508325 0.93 HCRTR2 (0.42) HCRTR2EPHX1TDP1MAOAMAOB
SCHEMBL18182483 0.86 HCRTR2 (0.43) HCRTR2EPHX1TDP1MAOAMAOB
SCHEMBL28055283 0.86 HCRTR2 (0.39) HCRTR2EPHX1TDP1MAOAMAOB
SCHEMBL27112550 0.84 APLNR (0.38) HCRTR2EPHX1TDP1MAOAMAOB
SCHEMBL20567755 0.81 HCRTR2 (0.36) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL29541374 0.81 HCRTR2 (0.36) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL24463788 0.81 HCRTR2 (0.37) HCRTR2EPHX1TDP1MAOAMAOB
SCHEMBL21606412 0.81 HCRTR2 (0.37) HCRTR2EPHX1TDP1MAOAMAOB
SCHEMBL23219989 0.81 HCRTR2 (0.37) HCRTR2EPHX1TDP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
CN-103254190-B Heteroaryl substituted pyrrolo-[2,3-b] pyridine and pyrrolo-[2,3-b] pyrimidine as Janus inhibitors of kinases 因塞特控股公司 2016-12-07 CN disclosed
CN-103214484-B Pyrrolo-[2,3-b] pyridine replaced as the heteroaryl of Janus inhibitors of kinases and pyrrolo-[2,3-b] pyrimidine 因塞特控股公司 2016-07-06 CN 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 (3 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 HCRTR2 4552/4885EPHX1 2386/4885TDP1 1172/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 HCRTR2 4552/4885EPHX1 2386/4885TDP1 1172/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 HCRTR2 4552/4885EPHX1 2386/4885TDP1 1172/4885

“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.