SCHEMBL4157645

SCHEMBL4157645

CN(C)CCCC(=O)Nc1cncc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.56
HPGDS O60760 2/20 0.54
EGFR P00533 3/20 0.48
MYLK Q15746 1/20 0.47
SIRT2 Q8IXJ6 5/20 0.46
SIRT1 Q96EB6 4/20 0.46
TERT O14746 4/20 0.44
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42

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
SCHEMBL3726702 0.92 TERT (0.52) HDAC4HPGDSEGFRTERTNPC1
SCHEMBL27193028 0.88 HDAC4 (0.53) HDAC4HPGDSEGFRMYLKKDM4E
SCHEMBL13778305 0.84 HPGDS (0.55) HDAC4HPGDSSIRT2SIRT1TERT
SCHEMBL12011576 0.84 HDAC4 (0.60) HDAC4KDM4ENPC1ALDH1A1HPGD
SCHEMBL17555519 0.82 HDAC4 (0.48) HDAC4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL24569018 0.82 HDAC4 (0.47) HDAC4HPGDSEGFRMYLKKDM4E
SCHEMBL24568425 0.82 HDAC4 (0.57) HDAC4LTA4HKDM4ENPC1ALDH1A1
SCHEMBL24568421 0.81 HDAC4 (0.60) HDAC4EGFRKDM4ENPC1ALDH1A1
SCHEMBL12011629 0.81 HDAC4 (0.55) HDAC4KDM4ENPC1ALDH1A1HPGD
SCHEMBL16010977 0.80 HDAC4 (0.65) HDAC4EGFRLTA4HKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116948-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-04-11 US disclosed
EP-4267584-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-11-01 EP disclosed
WO-2022136221-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-30 WO disclosed
WO-2022136221-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-30 WO disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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 (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-20240116948-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS TGFBR1, ACVR1, TGFBR2 HDAC4 2697/4885HPGDS 1652/4885EGFR 84/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 HDAC4 1958/4885HPGDS 1987/4885EGFR 190/4885

“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.