SCHEMBL4879872

SCHEMBL4879872

O=C(O)C1CCN(c2ncccc2Br)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
CYP2C19 P33261 1/20 0.60
NEK2 P51955 2/20 0.58
MALT1 Q9UDY8 4/20 0.53
KMT2A Q03164 1/20 0.51
RECQL P46063 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ELANE P08246 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NOTUM Q6P988 1/20 0.45
DYRK1A Q13627 1/20 0.44

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
SCHEMBL4880724 0.85 KDM4E (0.44) KDM4ECYP2C19NEK2MALT1KMT2A
SCHEMBL2421306 0.84 MALT1 (0.70) KDM4ECYP2C19NEK2MALT1KMT2A
SCHEMBL4876457 0.83 MALT1 (0.60) KDM4EMALT1KMT2ARECQL
SCHEMBL24377504 0.83 MALT1 (0.57) KDM4EMALT1RECQL
SCHEMBL4881098 0.83 DYRK1A (0.48) KDM4ECYP2C19MALT1KMT2AALDH1A1
SCHEMBL4524152 0.82 NEK2 (0.67) KDM4ECYP2C19NEK2MALT1KMT2A
SCHEMBL238160 0.82 KDM4E (0.60) KDM4ECYP2C19NEK2MALT1KMT2A
SCHEMBL1728915 0.82 KMT2A (0.50) KDM4ECYP2C19MALT1KMT2ARECQL
SCHEMBL2008677 0.81 MALT1 (0.46) KDM4EMALT1KMT2ARECQLDYRK1A
SCHEMBL3104049 0.80 NEK2 (0.59) KDM4ECYP2C19NEK2MALT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. 2023-11-30 US disclosed
US-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. 2023-11-30 US disclosed
US-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. 2023-11-30 US disclosed
WO-2022086920-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. (US) 2022-04-28 WO disclosed
WO-2022086920-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. (US) 2022-04-28 WO disclosed
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 WO disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 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 (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-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF QPCT, QPCTL, GLUL KDM4E 2763/4885CYP2C19 3853/4885NEK2 4292/4885
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 KDM4E 3654/4885CYP2C19 528/4885NEK2 1081/4885
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 KDM4E 4115/4885CYP2C19 1390/4885NEK2 3546/4885

“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.