SCHEMBL3726702

SCHEMBL3726702

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 6/20 0.52
HDAC4 P56524 1/20 0.52
HPGDS O60760 2/20 0.51
EGFR P00533 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL4157645 0.92 HDAC4 (0.56) TERTHDAC4HPGDSEGFRSMN1; SMN2
SCHEMBL17555519 0.85 HDAC4 (0.48) HDAC4SMN1; SMN2HTTNPC1RAB9A
SCHEMBL13778309 0.84 TERT (0.52) TERTHDAC4HPGDSSMN1; SMN2MAPK1
SCHEMBL12011629 0.83 HDAC4 (0.55) HDAC4SMN1; SMN2HTTNPC1RAB9A
SCHEMBL27193028 0.82 HDAC4 (0.53) HDAC4HPGDSEGFRSMN1; SMN2HTT
SCHEMBL3723066 0.81 HDAC4 (0.56) HDAC4SMN1; SMN2HTTNPC1RAB9A
SCHEMBL24568259 0.81 HDAC4 (0.44) TERTHDAC4HPGDSEGFRSMN1; SMN2
SCHEMBL12011576 0.81 HDAC4 (0.60) HDAC4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24568100 0.81 HDAC4 (0.53) HDAC4SMN1; SMN2HTTNPC1RAB9A
SCHEMBL9953824 0.80 HDAC4 (0.55) HDAC4TSHRKMT2A

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 9 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
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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 (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 TERT 3124/4885HDAC4 2697/4885HPGDS 1652/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 TERT 616/4885HDAC4 1958/4885HPGDS 1987/4885

“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.