SCHEMBL20515237

SCHEMBL20515237

NC(=O)c1ccc(Br)c2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
APAF1 O14727 1/20 0.56
TDP2 O95551 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
PARP1 P09874 1/20 0.56
RPS6KB1 P23443 8/20 0.55
TP53 P04637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
HSP90AA1 P07900 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1126280 0.85 KMT2A (0.62) KDM4EKMT2AMEN1APAF1TDP2
SCHEMBL16861478 0.83 KMT2A (0.51) KDM4EKMT2AMEN1APAF1TDP2
SCHEMBL31071774 0.82 KMT2A (0.50) KDM4EKMT2AMEN1APAF1TDP2
SCHEMBL15053947 0.81 KDM4E (0.61) KDM4EKMT2AMEN1APAF1TDP2
SCHEMBL29448814 0.80 KDM4E (0.59) KDM4EPARP1RPS6KB1L3MBTL1HTT
SCHEMBL27767795 0.80 KDM4E (0.64) KDM4EPARP1RPS6KB1L3MBTL1AURKA
SCHEMBL27930130 0.80 KDM4E (0.59) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL23360051 0.80 KMT2A (0.53) KDM4EKMT2AMEN1APAF1TDP2
SCHEMBL31056854 0.80 KDM4E (0.62) KDM4EKMT2AMEN1APAF1TDP2
SCHEMBL23359872 0.80 KMT2A (0.47) KDM4EKMT2AMEN1APAF1TDP2

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
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
EP-4288431-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2023-12-13 EP disclosed
WO-2022167682-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-11 WO disclosed
WO-2021048200-A1 NOVEL QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-03-18 WO disclosed
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 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 (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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT KDM4E 2863/4885KMT2A 1353/4885MEN1 1017/4885
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 KDM4E 411/4885KMT2A 697/4885MEN1 3256/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 KDM4E 1342/4885KMT2A 584/4885MEN1 1303/4885

“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.