SCHEMBL2473897

SCHEMBL2473897

CC(=O)CNC(=O)c1ccc(C)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.51
KMT2A Q03164 1/20 0.44
BRD4 O60885 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL609574 0.85 EGFR (0.52) EGFRKMT2ABRD4SMN1; SMN2KDM4E
SCHEMBL30027960 0.84 EGFR (0.54) EGFRKMT2ABRD4SMN1; SMN2KDM4E
SCHEMBL5430952 0.80 EGFR (0.50) EGFRKMT2ABRD4SMN1; SMN2KDM4E
SCHEMBL2474259 0.79 EGFR (0.49) EGFRKMT2ABRD4SMN1; SMN2ADORA2A
SCHEMBL6988044 0.78 EGFR (0.58) EGFRBRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL14469060 0.78 EGFR (0.57) EGFRBRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL5423451 0.78 EGFR (0.48) EGFRKMT2AKDM4ERAB9A
SCHEMBL5433157 0.78 BRD4 (0.53) EGFRBRD4SMN1; SMN2ALDH1A1HPGD
SCHEMBL7972449 0.77 EGFR (0.45) EGFRKMT2ABRD4SMN1; SMN2KDM4E
SCHEMBL5426752 0.77 ALDH1A1 (0.53) EGFRKMT2ABRD4SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102325770-A Piperidine derivatives as orexin antagonists GLAXO GROUP LTD 2012-01-18 CN disclosed
CN-102300857-A N-{[(ir,4s,6r-3-(2-pyridinylcarbonyl)-3-azabicyclo [4.1.0]hept-4-yl] Methyl}-2-heteroarylamine Derivatives And Uses Thereof 2011-12-28 CN disclosed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
EP-2370426-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF Glaxo Group Limited (GB) 2011-10-05 EP disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 EGFR 4479/4885KMT2A 1233/4885BRD4 947/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B EGFR 1951/4885KMT2A 1395/4885BRD4 48/4885

“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.