SCHEMBL22735874

SCHEMBL22735874

CC(C(N)=O)c1ccc(Br)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
ALOX5 P09917 2/20 0.38
APP P05067 1/20 0.37
MET P08581 1/20 0.37
MST1R Q04912 1/20 0.37
FDFT1 P37268 1/20 0.36
CYP26A1 O43174 2/20 0.33
MAPK1 P28482 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NNMT P40261 1/20 0.32

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
SCHEMBL27513381 0.85 FDFT1 (0.38) ALOX5FDFT1CYP26A1
SCHEMBL25810696 0.84 PTGS2 (0.47) ALOX5
SCHEMBL1515610 0.80 EPHX1 (0.47) EPHX1ALOX5APPMETMST1R
SCHEMBL25295103 0.79 HPGD (0.41) FDFT1CYP26A1KMT2A
SCHEMBL1515561 0.79 NNMT (0.56) EPHX1MKNK1MKNK2MEN1KMT2A
SCHEMBL30489970 0.79 HPGD (0.41) FDFT1CYP26A1KMT2A
SCHEMBL27800860 0.78 ALOX5 (0.36) EPHX1ALOX5FDFT1MAPK1MEN1
SCHEMBL22509374 0.76 EPHX1 (0.47) EPHX1ALOX5APPMETMST1R
SCHEMBL12614358 0.75 ADRB2 (0.41) FDFT1CYP26A1
SCHEMBL3875094 0.75 EPHX1 (0.58) EPHX1ALOX5APPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12516056-B2 Compounds for inhibition of janus kinase 1 MANKIND PHARMA LTD. (IN) 2026-01-06 US disclosed
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 CN disclosed
US-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2022-07-28 US disclosed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 CN disclosed
WO-2021227906-A1 PYRIDINE ACETAMIDE DERIVATIVE SERVING AS CDK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2021-11-18 WO disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 WO disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 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 (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-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 JAK1, JAK2, JAK3 EPHX1 3205/4885ALOX5 2761/4885APP 4747/4885

“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.